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]+ 335.186626 179.8
[M+Na]+ 357.168568 186.0
[M-H]- 333.172074 186.1
[M+NH4]+ 352.213173 191.2
[M+K]+ 373.142508 179.7
[M+H-H2O]+ 317.176610 168.4
[M+HCOO]- 379.177551 197.4
[M+CH3COO]- 393.193201 189.0
[M+Na-2H]- 355.154016 182.4
[M]+ 334.17880142 177.0
[M]- 334.17989858 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.