CID 1132617

72733-84-7

Structural Information

Molecular Formula

C₁₃H₁₀N₂O₃

SMILES

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

InChI

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

InChIKey

ZPXHGRCNSBEEOL-UHFFFAOYSA-N

Compound name

3-(pyridine-3-carbonylamino)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 242.06914 Da
Monoisotopic Mass: 1.3
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]+	243.076416	151.7
[M+Na]+	265.058358	158.2
[M-H]-	241.061864	155.9
[M+NH4]+	260.102963	166.2
[M+K]+	281.032298	155.0
[M+H-H2O]+	225.066400	143.5
[M+HCOO]-	287.067341	173.7
[M+CH3COO]-	301.082991	190.9
[M+Na-2H]-	263.043806	157.3
[M]+	242.06859142	150.3
[M]-	242.06968858	150.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe