CID 202409

10326-84-8

Structural Information

Molecular Formula
C13H10N2O2
SMILES
CC1=CC=C(C2=NC3=CC=CC=C3N12)C(=O)O
InChI
InChI=1S/C13H10N2O2/c1-8-6-7-9(13(16)17)12-14-10-4-2-3-5-11(10)15(8)12/h2-7H,1H3,(H,16,17)
InChIKey
YIJLIRAGVLOQSR-UHFFFAOYSA-N
Compound name
1-methylpyrido[1,2-a]benzimidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.07423 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08151 147.6
[M+Na]+ 249.06345 159.3
[M-H]- 225.06695 150.4
[M+NH4]+ 244.10805 166.8
[M+K]+ 265.03739 154.6
[M+H-H2O]+ 209.07149 140.7
[M+HCOO]- 271.07243 168.2
[M+CH3COO]- 285.08808 161.0
[M+Na-2H]- 247.04890 154.4
[M]+ 226.07368 150.7
[M]- 226.07478 150.7
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.