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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	270.087326	158.6
[M+Na]+	292.069268	170.3
[M-H]-	268.072774	161.4
[M+NH4]+	287.113873	172.7
[M+K]+	308.043208	164.5
[M+H-H2O]+	252.077310	150.4
[M+HCOO]-	314.078251	177.9
[M+CH3COO]-	328.093901	170.6
[M+Na-2H]-	290.054716	163.0
[M]+	269.07950142	160.4
[M]-	269.08059858	160.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.