CID 5174056

5897-65-4

Structural Information

Molecular Formula

C₁₅H₁₃NO₃

SMILES

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)CC(=O)O

InChI

InChI=1S/C15H13NO3/c17-14(18)10-11-6-8-13(9-7-11)16-15(19)12-4-2-1-3-5-12/h1-9H,10H2,(H,16,19)(H,17,18)

InChIKey

LTXKTVPZMGKIPN-UHFFFAOYSA-N

Compound name

2-(4-benzamidophenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 255.08954 Da
Monoisotopic Mass: 2.4
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]+	256.09682	156.7
[M+Na]+	278.07876	162.3
[M-H]-	254.08226	162.0
[M+NH4]+	273.12336	172.0
[M+K]+	294.05270	158.8
[M+H-H2O]+	238.08680	149.0
[M+HCOO]-	300.08774	179.3
[M+CH3COO]-	314.10339	194.2
[M+Na-2H]-	276.06421	161.0
[M]+	255.08899	155.5
[M]-	255.09009	155.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe