CID 75476643

1797210-14-0

Structural Information

Molecular Formula
C14H11N3O3
SMILES
CN1C2=C(NC1=O)N=CC(=C2)C3=CC(=CC=C3)C(=O)O
InChI
InChI=1S/C14H11N3O3/c1-17-11-6-10(7-15-12(11)16-14(17)20)8-3-2-4-9(5-8)13(18)19/h2-7H,1H3,(H,18,19)(H,15,16,20)
InChIKey
NODWKXBQGYKYOG-UHFFFAOYSA-N
Compound name
3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.08005 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.08733 159.2
[M+Na]+ 292.06927 173.9
[M+NH4]+ 287.11387 165.2
[M+K]+ 308.04321 170.2
[M-H]- 268.07277 160.3
[M+Na-2H]- 290.05472 165.7
[M]+ 269.07950 161.4
[M]- 269.08060 161.4
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.