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

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References

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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 167.4
[M+Na]+ 321.08459 180.5
[M+NH4]+ 316.12919 173.3
[M+K]+ 337.05853 177.5
[M-H]- 297.08809 166.9
[M+Na-2H]- 319.07004 170.1
[M]+ 298.09482 168.9
[M]- 298.09592 168.9
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.

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No patent data available for this compound.