CID 202415

Pyrido(1,2-a)benzimidazole-2-acetic acid, 4-carboxy-1,3-dimethyl-, monosodium salt

Structural Information

Molecular Formula
C16H14N2O4
SMILES
CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC(=O)O)C)C(=O)O
InChI
InChI=1S/C16H14N2O4/c1-8-10(7-13(19)20)9(2)18-12-6-4-3-5-11(12)17-15(18)14(8)16(21)22/h3-6H,7H2,1-2H3,(H,19,20)(H,21,22)
InChIKey
IFLAXRXZYXJXDZ-UHFFFAOYSA-N
Compound name
2-(carboxymethyl)-1,3-dimethylpyrido[1,2-a]benzimidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.09537 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.102646 166.8
[M+Na]+ 321.084588 177.9
[M-H]- 297.088094 168.6
[M+NH4]+ 316.129193 182.5
[M+K]+ 337.058528 173.2
[M+H-H2O]+ 281.092630 160.1
[M+HCOO]- 343.093571 184.2
[M+CH3COO]- 357.109221 202.3
[M+Na-2H]- 319.070036 169.2
[M]+ 298.09482142 171.4
[M]- 298.09591858 171.4
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.