NMR Quality Control Of Fragment Libraries For Screening synonyms


Graphical representations:


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Molecular Formula: C15H21N3

Natural Isotopic Abundance Mass: 243.34733999999975

Mono-Isotopic Molecular Masses:

  • C12N14: 243.173547687
  • C13N14: 258.22387025700016
  • C12N15: 246.164652366
  • C13N15: 261.21497493600026

InChI string: InChI=1S/C15H21N3/c1-18-14-10-6-5-9-13(14)17-15(18)11-16-12-7-3-2-4-8-12/h5-6,9-10,12,16H,2-4,7-8,11H2,1H3

IUPAC: N-[(1-methylbenzimidazol-2-yl)methyl]cyclohexanamine

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, https://www.nature.com/articles/sdata201773)