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]+ 329.139696 176.8
[M+Na]+ 351.121638 185.7
[M-H]- 327.125144 183.1
[M+NH4]+ 346.166243 188.1
[M+K]+ 367.095578 178.0
[M+H-H2O]+ 311.129680 166.1
[M+HCOO]- 373.130621 197.2
[M+CH3COO]- 387.146271 187.1
[M+Na-2H]- 349.107086 182.3
[M]+ 328.13187142 176.5
[M]- 328.13296858 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.