CID 5274827

837361-98-5

Structural Information

Molecular Formula
C19H14N4O
SMILES
C1=CC=C(C=C1)NC(=O)C2=C3C(=CC=C2)NC(=N3)C4=CC=NC=C4
InChI
InChI=1S/C19H14N4O/c24-19(21-14-5-2-1-3-6-14)15-7-4-8-16-17(15)23-18(22-16)13-9-11-20-12-10-13/h1-12H,(H,21,24)(H,22,23)
InChIKey
ZOZCHRKNYMTTSL-UHFFFAOYSA-N
Compound name
N-phenyl-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

314.11676 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.12404 171.2
[M+Na]+ 337.10598 179.7
[M-H]- 313.10948 177.3
[M+NH4]+ 332.15058 182.7
[M+K]+ 353.07992 172.1
[M+H-H2O]+ 297.11402 160.5
[M+HCOO]- 359.11496 192.0
[M+CH3COO]- 373.13061 181.6
[M+Na-2H]- 335.09143 178.0
[M]+ 314.11621 170.2
[M]- 314.11731 170.2
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.