CID 201533

6188-02-9

Structural Information

Molecular Formula

C₁₃H₁₀N₂O₃

SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CN=CC=C2

InChI

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

InChIKey

JYBNOUMWGUMFBK-UHFFFAOYSA-N

Compound name

2-(pyridine-3-carbonylamino)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 13
Patents: 242.06914 Da
Monoisotopic Mass: 1.8
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