CID 12876457

3397-32-8

Structural Information

Molecular Formula
C21H20N2O6
SMILES
C1CC(=O)N(C1=O)OC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C21H20N2O6/c24-18-11-12-19(25)23(18)29-20(26)17(13-15-7-3-1-4-8-15)22-21(27)28-14-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,22,27)/t17-/m0/s1
InChIKey
MOJNKVWQJKPXCT-KRWDZBQOSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

396.13214 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.139416 190.7
[M+Na]+ 419.121358 193.5
[M-H]- 395.124864 198.4
[M+NH4]+ 414.165963 200.4
[M+K]+ 435.095298 191.2
[M+H-H2O]+ 379.129400 180.6
[M+HCOO]- 441.130341 210.5
[M+CH3COO]- 455.145991 219.6
[M+Na-2H]- 417.106806 189.2
[M]+ 396.13159142 191.6
[M]- 396.13268858 191.6
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

patents stripe