CID 513892

Chembl175173

Structural Information

Molecular Formula
C20H22N4O
SMILES
CNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=CC=N3)C4CCCCC4
InChI
InChI=1S/C20H22N4O/c1-21-20(25)14-10-11-18-17(13-14)23-19(16-9-5-6-12-22-16)24(18)15-7-3-2-4-8-15/h5-6,9-13,15H,2-4,7-8H2,1H3,(H,21,25)
InChIKey
JVKAAONZEZMOCF-UHFFFAOYSA-N
Compound name
1-cyclohexyl-N-methyl-2-pyridin-2-ylbenzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.17935 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.18663 179.8
[M+Na]+ 357.16857 186.0
[M-H]- 333.17207 186.1
[M+NH4]+ 352.21317 191.2
[M+K]+ 373.14251 179.7
[M+H-H2O]+ 317.17661 168.4
[M+HCOO]- 379.17755 197.4
[M+CH3COO]- 393.19320 189.0
[M+Na-2H]- 355.15402 182.4
[M]+ 334.17880 177.0
[M]- 334.17990 177.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.