CID 49774125

2-[1-(pyridine-4-carbonyl)benzimidazol-2-yl]benzoic acid

Structural Information

Molecular Formula
C20H13N3O3
SMILES
C1=CC=C(C(=C1)C2=NC3=CC=CC=C3N2C(=O)C4=CC=NC=C4)C(=O)O
InChI
InChI=1S/C20H13N3O3/c24-19(13-9-11-21-12-10-13)23-17-8-4-3-7-16(17)22-18(23)14-5-1-2-6-15(14)20(25)26/h1-12H,(H,25,26)
InChIKey
PMWNTORWSIFOHS-UHFFFAOYSA-N
Compound name
2-[1-(pyridine-4-carbonyl)benzimidazol-2-yl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.0957 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.10298 179.1
[M+Na]+ 366.08492 188.3
[M-H]- 342.08842 185.6
[M+NH4]+ 361.12952 189.6
[M+K]+ 382.05886 182.1
[M+H-H2O]+ 326.09296 168.5
[M+HCOO]- 388.09390 197.9
[M+CH3COO]- 402.10955 189.4
[M+Na-2H]- 364.07037 182.7
[M]+ 343.09515 180.8
[M]- 343.09625 180.8
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.