CID 202411

10326-85-9

Structural Information

Molecular Formula
C14H12N2O2
SMILES
CC1=CC(=C(C2=NC3=CC=CC=C3N12)C(=O)O)C
InChI
InChI=1S/C14H12N2O2/c1-8-7-9(2)16-11-6-4-3-5-10(11)15-13(16)12(8)14(17)18/h3-7H,1-2H3,(H,17,18)
InChIKey
NNLTUBVFUBEOLA-UHFFFAOYSA-N
Compound name
1,3-dimethylpyrido[1,2-a]benzimidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

240.08987 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.097146 152.5
[M+Na]+ 263.079088 164.6
[M-H]- 239.082594 155.5
[M+NH4]+ 258.123693 171.4
[M+K]+ 279.053028 159.8
[M+H-H2O]+ 223.087130 145.7
[M+HCOO]- 285.088071 172.7
[M+CH3COO]- 299.103721 165.7
[M+Na-2H]- 261.064536 158.0
[M]+ 240.08932142 156.3
[M]- 240.09041858 156.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.