CID 11026196

3338-32-7

Structural Information

Molecular Formula
C20H24N2O8
SMILES
CC(C)(C)OC(=O)C[C@@H](C(=O)ON1C(=O)CCC1=O)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C20H24N2O8/c1-20(2,3)29-17(25)11-14(18(26)30-22-15(23)9-10-16(22)24)21-19(27)28-12-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,21,27)/t14-/m0/s1
InChIKey
JUMSBOKRGDETHL-AWEZNQCLSA-N
Compound name
4-O-tert-butyl 1-O-(2,5-dioxopyrrolidin-1-yl) (2S)-2-(phenylmethoxycarbonylamino)butanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

420.15326 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.160536 193.8
[M+Na]+ 443.142478 196.1
[M-H]- 419.145984 198.4
[M+NH4]+ 438.187083 203.1
[M+K]+ 459.116418 196.6
[M+H-H2O]+ 403.150520 185.8
[M+HCOO]- 465.151461 210.8
[M+CH3COO]- 479.167111 224.1
[M+Na-2H]- 441.127926 191.7
[M]+ 420.15271142 198.1
[M]- 420.15380858 198.1
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

patents stripe