CID 5274835

Chembl183512

Structural Information

Molecular Formula
C19H14N4O2
SMILES
C1=CC=C(C(=C1)NC(=O)C2=C3C(=CC=C2)NC(=N3)C4=CC=NC=C4)O
InChI
InChI=1S/C19H14N4O2/c24-16-7-2-1-5-14(16)22-19(25)13-4-3-6-15-17(13)23-18(21-15)12-8-10-20-11-9-12/h1-11,24H,(H,21,23)(H,22,25)
InChIKey
DFHUAARQMFTOTM-UHFFFAOYSA-N
Compound name
N-(2-hydroxyphenyl)-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.11166 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.11894 174.7
[M+Na]+ 353.10088 183.4
[M-H]- 329.10438 179.9
[M+NH4]+ 348.14548 185.1
[M+K]+ 369.07482 175.8
[M+H-H2O]+ 313.10892 164.4
[M+HCOO]- 375.10986 194.1
[M+CH3COO]- 389.12551 184.6
[M+Na-2H]- 351.08633 180.5
[M]+ 330.11111 173.7
[M]- 330.11221 173.7
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.