CID 5274832

Chembl183833

Structural Information

Molecular Formula
C20H16N4O
SMILES
CC1=CC=CC=C1NC(=O)C2=C3C(=CC=C2)NC(=N3)C4=CC=NC=C4
InChI
InChI=1S/C20H16N4O/c1-13-5-2-3-7-16(13)23-20(25)15-6-4-8-17-18(15)24-19(22-17)14-9-11-21-12-10-14/h2-12H,1H3,(H,22,24)(H,23,25)
InChIKey
LHDKKEPTCDNYSZ-UHFFFAOYSA-N
Compound name
N-(2-methylphenyl)-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.13242 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.13970 176.8
[M+Na]+ 351.12164 185.7
[M-H]- 327.12514 183.1
[M+NH4]+ 346.16624 188.1
[M+K]+ 367.09558 178.0
[M+H-H2O]+ 311.12968 166.1
[M+HCOO]- 373.13062 197.2
[M+CH3COO]- 387.14627 187.1
[M+Na-2H]- 349.10709 182.3
[M]+ 328.13187 176.5
[M]- 328.13297 176.5
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.