CID 19375

Phenyl(phenylamino)acetic acid

Structural Information

Molecular Formula

C₁₄H₁₃NO₂

SMILES

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

InChI

InChI=1S/C14H13NO2/c16-14(17)13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10,13,15H,(H,16,17)

InChIKey

NFEVMRNCAGDLBK-UHFFFAOYSA-N

Compound name

2-anilino-2-phenylacetic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 325
Patents: 227.09464 Da
Monoisotopic Mass: 3.2
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]+	228.101916	150.0
[M+Na]+	250.083858	154.9
[M-H]-	226.087364	155.0
[M+NH4]+	245.128463	166.2
[M+K]+	266.057798	151.6
[M+H-H2O]+	210.091900	142.6
[M+HCOO]-	272.092841	172.6
[M+CH3COO]-	286.108491	189.4
[M+Na-2H]-	248.069306	155.6
[M]+	227.09409142	147.4
[M]-	227.09518858	147.4

Literature stripe

literature stripe

Patent stripe

patents stripe