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

28
Patents

406.174 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.18128 191.7
[M+Na]+ 429.16322 196.6
[M+NH4]+ 424.20782 193.6
[M+K]+ 445.13716 197.8
[M-H]- 405.16672 189.6
[M+Na-2H]- 427.14867 192.5
[M]+ 406.17345 191.0
[M]- 406.17455 191.0
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.