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]+ 299.10265 166.8
[M+Na]+ 321.08459 177.9
[M-H]- 297.08809 168.6
[M+NH4]+ 316.12919 182.5
[M+K]+ 337.05853 173.2
[M+H-H2O]+ 281.09263 160.1
[M+HCOO]- 343.09357 184.2
[M+CH3COO]- 357.10922 202.3
[M+Na-2H]- 319.07004 169.2
[M]+ 298.09482 171.4
[M]- 298.09592 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.