CID 202411

10326-85-9

Structural Information

Molecular Formula
C14H12N2O2
SMILES
CC1=CC(=C(C2=NC3=CC=CC=C3N12)C(=O)O)C
InChI
InChI=1S/C14H12N2O2/c1-8-7-9(2)16-11-6-4-3-5-10(11)15-13(16)12(8)14(17)18/h3-7H,1-2H3,(H,17,18)
InChIKey
NNLTUBVFUBEOLA-UHFFFAOYSA-N
Compound name
1,3-dimethylpyrido[1,2-a]benzimidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

240.08987 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.09715 152.5
[M+Na]+ 263.07909 164.6
[M-H]- 239.08259 155.5
[M+NH4]+ 258.12369 171.4
[M+K]+ 279.05303 159.8
[M+H-H2O]+ 223.08713 145.7
[M+HCOO]- 285.08807 172.7
[M+CH3COO]- 299.10372 165.7
[M+Na-2H]- 261.06454 158.0
[M]+ 240.08932 156.3
[M]- 240.09042 156.3
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.