Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB


NMR Quality Control Of Fragment Libraries For Screening synonyms


Graphical representations:


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Molecular Formula: C10H18N4O

Natural Isotopic Abundance Mass: 210.27611999999982

Mono-Isotopic Molecular Masses:

  • C12N14: 210.148061216
  • C13N14: 220.18160959600004
  • C12N15: 214.13620078800002
  • C13N15: 224.16974916800007

InChI string: InChI=1S/C10H18N4O/c1-14(2)7-8-12-9(13-15-8)10(11)5-3-4-6-10/h3-7,11H2,1-2H3

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73,