CID 468481

Chembl327419

Structural Information

Molecular Formula

C₂₀H₂₀N₂O₃

SMILES

C1CN(CC1=O)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20N2O3/c23-17-11-12-22(14-17)20(25)18(13-15-7-3-1-4-8-15)21-19(24)16-9-5-2-6-10-16/h1-10,18H,11-14H2,(H,21,24)/t18-/m0/s1

InChIKey

CELXZEHETIGPKV-SFHVURJKSA-N

Compound name

N-[(2S)-1-oxo-1-(3-oxopyrrolidin-1-yl)-3-phenylpropan-2-yl]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 336.1474 Da
Monoisotopic Mass: 2.3
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]+	337.154676	180.0
[M+Na]+	359.136618	182.7
[M-H]-	335.140124	187.5
[M+NH4]+	354.181223	192.3
[M+K]+	375.110558	178.9
[M+H-H2O]+	319.144660	170.3
[M+HCOO]-	381.145601	199.5
[M+CH3COO]-	395.161251	210.2
[M+Na-2H]-	357.122066	179.1
[M]+	336.14685142	176.7
[M]-	336.14794858	176.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.