CID 5274833

Chembl185507

Structural Information

Molecular Formula
C19H13N5O3
SMILES
C1=CC(=C2C(=C1)NC(=N2)C3=CC=NC=C3)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C19H13N5O3/c25-19(21-13-4-6-14(7-5-13)24(26)27)15-2-1-3-16-17(15)23-18(22-16)12-8-10-20-11-9-12/h1-11H,(H,21,25)(H,22,23)
InChIKey
ZORNWEIYAPNPTJ-UHFFFAOYSA-N
Compound name
N-(4-nitrophenyl)-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

359.10184 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.10912 177.7
[M+Na]+ 382.09106 184.0
[M-H]- 358.09456 184.2
[M+NH4]+ 377.13566 186.2
[M+K]+ 398.06500 173.4
[M+H-H2O]+ 342.09910 171.0
[M+HCOO]- 404.10004 199.2
[M+CH3COO]- 418.11569 207.3
[M+Na-2H]- 380.07651 186.4
[M]+ 359.10129 175.3
[M]- 359.10239 175.3
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.