CID 32183

Phenylacetyl-d-phenylglycine

Structural Information

Molecular Formula

C₁₆H₁₅NO₃

SMILES

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

InChI

InChI=1S/C16H15NO3/c18-15(11-13-7-3-1-4-8-13)17(12-16(19)20)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,19,20)

InChIKey

SSYVARLGJPNCDL-UHFFFAOYSA-N

Compound name

2-(N-(2-phenylacetyl)anilino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 269.1052 Da
Monoisotopic Mass: 2.5
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]+	270.112476	161.5
[M+Na]+	292.094418	165.9
[M-H]-	268.097924	167.7
[M+NH4]+	287.139023	176.5
[M+K]+	308.068358	163.6
[M+H-H2O]+	252.102460	153.3
[M+HCOO]-	314.103401	184.3
[M+CH3COO]-	328.119051	199.3
[M+Na-2H]-	290.079866	165.3
[M]+	269.10465142	161.5
[M]-	269.10574858	161.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.