CID 207346

Pyrido(1,2-a)benzimidazole-4-carboxylic acid, 1,3,8-trimethyl-, sodium salt

Structural Information

Molecular Formula
C15H14N2O2
SMILES
CC1=C2C(=CC=C1)N3C(=CC(=C(C3=N2)C(=O)O)C)C
InChI
InChI=1S/C15H14N2O2/c1-8-5-4-6-11-13(8)16-14-12(15(18)19)9(2)7-10(3)17(11)14/h4-7H,1-3H3,(H,18,19)
InChIKey
LZMGRVQXEPMTCV-UHFFFAOYSA-N
Compound name
1,3,6-trimethylpyrido[1,2-a]benzimidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.10553 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.11281 157.3
[M+Na]+ 277.09475 169.8
[M-H]- 253.09825 160.5
[M+NH4]+ 272.13935 175.9
[M+K]+ 293.06869 164.8
[M+H-H2O]+ 237.10279 150.5
[M+HCOO]- 299.10373 177.1
[M+CH3COO]- 313.11938 170.4
[M+Na-2H]- 275.08020 161.5
[M]+ 254.10498 161.8
[M]- 254.10608 161.8
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.