CID 5274828

Chembl362473

Structural Information

Molecular Formula
C19H13ClN4O
SMILES
C1=CC(=C2C(=C1)NC(=N2)C3=CC=NC=C3)C(=O)NC4=CC=C(C=C4)Cl
InChI
InChI=1S/C19H13ClN4O/c20-13-4-6-14(7-5-13)22-19(25)15-2-1-3-16-17(15)24-18(23-16)12-8-10-21-11-9-12/h1-11H,(H,22,25)(H,23,24)
InChIKey
ZYHLMJSYSJDDOD-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.0778 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.08508 178.8
[M+Na]+ 371.06702 188.9
[M-H]- 347.07052 184.9
[M+NH4]+ 366.11162 190.1
[M+K]+ 387.04096 180.0
[M+H-H2O]+ 331.07506 168.3
[M+HCOO]- 393.07600 194.8
[M+CH3COO]- 407.09165 189.0
[M+Na-2H]- 369.05247 184.2
[M]+ 348.07725 180.5
[M]- 348.07835 180.5
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.