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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.15468 180.0
[M+Na]+ 359.13662 182.7
[M-H]- 335.14012 187.5
[M+NH4]+ 354.18122 192.3
[M+K]+ 375.11056 178.9
[M+H-H2O]+ 319.14466 170.3
[M+HCOO]- 381.14560 199.5
[M+CH3COO]- 395.16125 210.2
[M+Na-2H]- 357.12207 179.1
[M]+ 336.14685 176.7
[M]- 336.14795 176.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.