CID 47588

Dtxsid30983892

Structural Information

Molecular Formula

C₁₇H₁₇NO₃

SMILES

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

InChI

InChI=1S/C17H17NO3/c19-15(12-11-13-7-3-1-4-8-13)18-16(17(20)21)14-9-5-2-6-10-14/h1-10,16H,11-12H2,(H,18,19)(H,20,21)

InChIKey

GCQJVZVCJVKFNV-UHFFFAOYSA-N

Compound name

2-phenyl-2-(3-phenylpropanoylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 283.12085 Da
Monoisotopic Mass: 2.7
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]+	284.128126	166.3
[M+Na]+	306.110068	169.7
[M-H]-	282.113574	170.8
[M+NH4]+	301.154673	180.0
[M+K]+	322.084008	166.3
[M+H-H2O]+	266.118110	158.1
[M+HCOO]-	328.119051	187.2
[M+CH3COO]-	342.134701	199.9
[M+Na-2H]-	304.095516	169.0
[M]+	283.12030142	164.7
[M]-	283.12139858	164.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe