CID 513894

Chembl175174

Structural Information

Molecular Formula
C19H20N4O
SMILES
C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)N)N=C2C4=CC=CC=N4
InChI
InChI=1S/C19H20N4O/c20-18(24)13-9-10-17-16(12-13)22-19(15-8-4-5-11-21-15)23(17)14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7H2,(H2,20,24)
InChIKey
IFMGBOCDRNFDIC-UHFFFAOYSA-N
Compound name
1-cyclohexyl-2-pyridin-2-ylbenzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.1637 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.17098 175.6
[M+Na]+ 343.15292 182.2
[M-H]- 319.15642 181.6
[M+NH4]+ 338.19752 187.3
[M+K]+ 359.12686 175.7
[M+H-H2O]+ 303.16096 164.4
[M+HCOO]- 365.16190 192.9
[M+CH3COO]- 379.17755 185.0
[M+Na-2H]- 341.13837 177.8
[M]+ 320.16315 171.6
[M]- 320.16425 171.6
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.