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]+ 227.081506 147.6
[M+Na]+ 249.063448 159.3
[M-H]- 225.066954 150.4
[M+NH4]+ 244.108053 166.8
[M+K]+ 265.037388 154.6
[M+H-H2O]+ 209.071490 140.7
[M+HCOO]- 271.072431 168.2
[M+CH3COO]- 285.088081 161.0
[M+Na-2H]- 247.048896 154.4
[M]+ 226.07368142 150.7
[M]- 226.07477858 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.