CID 468485

Chembl96327

Structural Information

Molecular Formula
C21H22N2O4
SMILES
C1CN(CC1=O)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C21H22N2O4/c24-18-11-12-23(14-18)20(25)19(13-16-7-3-1-4-8-16)22-21(26)27-15-17-9-5-2-6-10-17/h1-10,19H,11-15H2,(H,22,26)/t19-/m0/s1
InChIKey
JIAWCGZMZNJJMY-IBGZPJMESA-N
Compound name
benzyl N-[(2S)-1-oxo-1-(3-oxopyrrolidin-1-yl)-3-phenylpropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.15796 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.16524 187.2
[M+Na]+ 389.14718 189.4
[M-H]- 365.15068 194.5
[M+NH4]+ 384.19178 198.2
[M+K]+ 405.12112 186.1
[M+H-H2O]+ 349.15522 177.2
[M+HCOO]- 411.15616 206.6
[M+CH3COO]- 425.17181 214.6
[M+Na-2H]- 387.13263 186.0
[M]+ 366.15741 185.6
[M]- 366.15851 185.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.