CID 333505

32886-43-4

Structural Information

Molecular Formula
C20H26N2O7
SMILES
CC(C(C(=O)ON1C(=O)CCC1=O)NC(=O)OC(C)(C)C)OCC2=CC=CC=C2
InChI
InChI=1S/C20H26N2O7/c1-13(27-12-14-8-6-5-7-9-14)17(21-19(26)28-20(2,3)4)18(25)29-22-15(23)10-11-16(22)24/h5-9,13,17H,10-12H2,1-4H3,(H,21,26)
InChIKey
SNEHQGZSMYSVFT-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxybutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.174 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.181276 192.9
[M+Na]+ 429.163218 195.2
[M-H]- 405.166724 197.6
[M+NH4]+ 424.207823 203.0
[M+K]+ 445.137158 195.5
[M+H-H2O]+ 389.171260 185.1
[M+HCOO]- 451.172201 209.6
[M+CH3COO]- 465.187851 223.3
[M+Na-2H]- 427.148666 190.5
[M]+ 406.17345142 196.7
[M]- 406.17454858 196.7
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.