CID 15382435

61464-33-3

Structural Information

Molecular Formula
C23H22N2O8
SMILES
C1CC(=O)N(C1=O)OC(=O)[C@H](CC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C23H22N2O8/c26-19-11-12-20(27)25(19)33-22(29)18(13-21(28)31-14-16-7-3-1-4-8-16)24-23(30)32-15-17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,24,30)/t18-/m0/s1
InChIKey
WCIMRCGAANBKFS-SFHVURJKSA-N
Compound name
4-O-benzyl 1-O-(2,5-dioxopyrrolidin-1-yl) (2S)-2-(phenylmethoxycarbonylamino)butanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.1376 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.14488 202.1
[M+Na]+ 477.12682 203.4
[M-H]- 453.13032 209.5
[M+NH4]+ 472.17142 209.0
[M+K]+ 493.10076 202.5
[M+H-H2O]+ 437.13486 191.7
[M+HCOO]- 499.13580 220.7
[M+CH3COO]- 513.15145 229.5
[M+Na-2H]- 475.11227 199.2
[M]+ 454.13705 205.1
[M]- 454.13815 205.1
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.