CID 202407

10326-82-6

Structural Information

Molecular Formula
C14H12ClN3O2
SMILES
CC1=CC(=C(C2=NC3=CC(=CC(=C3N12)N)Cl)C(=O)O)C
InChI
InChI=1S/C14H12ClN3O2/c1-6-3-7(2)18-12-9(16)4-8(15)5-10(12)17-13(18)11(6)14(19)20/h3-5H,16H2,1-2H3,(H,19,20)
InChIKey
LQKUCZUICQLMNC-UHFFFAOYSA-N
Compound name
9-amino-7-chloro-1,3-dimethylpyrido[1,2-a]benzimidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.0618 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.06908 164.2
[M+Na]+ 312.05102 177.9
[M-H]- 288.05452 167.1
[M+NH4]+ 307.09562 181.9
[M+K]+ 328.02496 171.3
[M+H-H2O]+ 272.05906 158.2
[M+HCOO]- 334.06000 180.1
[M+CH3COO]- 348.07565 176.8
[M+Na-2H]- 310.03647 167.3
[M]+ 289.06125 169.3
[M]- 289.06235 169.3
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.