CID 671082

19357-10-9

Structural Information

Molecular Formula

C₁₃H₁₀N₂O₃

SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=CC=N2)C(=O)O

InChI

InChI=1S/C13H10N2O3/c16-12(15-11-7-3-4-8-14-11)9-5-1-2-6-10(9)13(17)18/h1-8H,(H,17,18)(H,14,15,16)

InChIKey

LYSBRRGPHIJPGG-UHFFFAOYSA-N

Compound name

2-(pyridin-2-ylcarbamoyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 14
Patents: 242.06914 Da
Monoisotopic Mass: 1.5
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]+	243.07642	152.9
[M+Na]+	265.05836	165.3
[M+NH4]+	260.10296	159.4
[M+K]+	281.03230	160.0
[M-H]-	241.06186	155.5
[M+Na-2H]-	263.04381	160.9
[M]+	242.06859	155.1
[M]-	242.06969	155.1

Literature stripe

literature stripe

Patent stripe

patents stripe