CID 126484502

3-(4-carbamoylphenyl)benzoicacid

Structural Information

Molecular Formula

C₁₄H₁₁NO₃

SMILES

C1=CC(=CC(=C1)C(=O)O)C2=CC=C(C=C2)C(=O)N

InChI

InChI=1S/C14H11NO3/c15-13(16)10-6-4-9(5-7-10)11-2-1-3-12(8-11)14(17)18/h1-8H,(H2,15,16)(H,17,18)

InChIKey

NZYMBNSXWYJPEG-UHFFFAOYSA-N

Compound name

3-(4-carbamoylphenyl)benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
Patents: 241.0739 Da
Monoisotopic Mass: 2.0
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]+	242.08118	153.3
[M+Na]+	264.06312	165.8
[M+NH4]+	259.10772	160.4
[M+K]+	280.03706	160.4
[M-H]-	240.06662	156.6
[M+Na-2H]-	262.04857	160.9
[M]+	241.07335	155.8
[M]-	241.07445	155.8

Literature stripe

literature stripe

Patent stripe

patents stripe