CID 491102

1,2-bis(2-pyridyl)benzimidazole-5-carboxylic acid

Structural Information

Molecular Formula
C18H12N4O2
SMILES
C1=CC=NC(=C1)C2=NC3=C(N2C4=CC=CC=N4)C=CC(=C3)C(=O)O
InChI
InChI=1S/C18H12N4O2/c23-18(24)12-7-8-15-14(11-12)21-17(13-5-1-3-9-19-13)22(15)16-6-2-4-10-20-16/h1-11H,(H,23,24)
InChIKey
WOHSENLDZCJKMA-UHFFFAOYSA-N
Compound name
1,2-dipyridin-2-ylbenzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.09604 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.10332 172.6
[M+Na]+ 339.08526 182.9
[M-H]- 315.08876 177.8
[M+NH4]+ 334.12986 183.0
[M+K]+ 355.05920 175.9
[M+H-H2O]+ 299.09330 161.4
[M+HCOO]- 361.09424 191.2
[M+CH3COO]- 375.10989 183.1
[M+Na-2H]- 337.07071 178.2
[M]+ 316.09549 174.0
[M]- 316.09659 174.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.