CID 37026

35039-72-6

Structural Information

Molecular Formula

C₁₆H₁₅NO₃

SMILES

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

InChI

InChI=1S/C16H15NO3/c18-14(11-12-7-3-1-4-8-12)17-15(16(19)20)13-9-5-2-6-10-13/h1-10,15H,11H2,(H,17,18)(H,19,20)

InChIKey

YNNIOBNUNOYVLD-UHFFFAOYSA-N

Compound name

2-phenyl-2-[(2-phenylacetyl)amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 24
Patents: 269.1052 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]+	270.112476	161.7
[M+Na]+	292.094418	165.6
[M-H]-	268.097924	166.4
[M+NH4]+	287.139023	176.0
[M+K]+	308.068358	162.4
[M+H-H2O]+	252.102460	153.7
[M+HCOO]-	314.103401	182.9
[M+CH3COO]-	328.119051	196.9
[M+Na-2H]-	290.079866	164.9
[M]+	269.10465142	159.7
[M]-	269.10574858	159.7

Literature stripe

literature stripe

Patent stripe

patents stripe