CID 513111

4-cyano-1-oxo-5h-pyrido[1,2-a]benzimidazole-2-carboxylic acid

Structural Information

Molecular Formula
C13H7N3O3
SMILES
C1=CC=C2C(=C1)NC3=C(C=C(C(=O)N23)C(=O)O)C#N
InChI
InChI=1S/C13H7N3O3/c14-6-7-5-8(13(18)19)12(17)16-10-4-2-1-3-9(10)15-11(7)16/h1-5,15H,(H,18,19)
InChIKey
CBXDOIIHYXLUHK-UHFFFAOYSA-N
Compound name
4-cyano-1-oxo-5H-pyrido[1,2-a]benzimidazole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.04874 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.05602 159.1
[M+Na]+ 276.03796 172.7
[M-H]- 252.04146 159.3
[M+NH4]+ 271.08256 174.1
[M+K]+ 292.01190 164.9
[M+H-H2O]+ 236.04600 145.5
[M+HCOO]- 298.04694 174.6
[M+CH3COO]- 312.06259 169.5
[M+Na-2H]- 274.02341 163.4
[M]+ 253.04819 155.5
[M]- 253.04929 155.5
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.