CID 165366432

Dtxsid501100494

Structural Information

Molecular Formula
C23H39N3O13
SMILES
COCCOCCNC(=O)OCC(COC(=O)NCCOCCOC)OCCCC(=O)ON1C(=O)CCC1=O
InChI
InChI=1S/C23H39N3O13/c1-32-12-14-34-10-7-24-22(30)37-16-18(17-38-23(31)25-8-11-35-15-13-33-2)36-9-3-4-21(29)39-26-19(27)5-6-20(26)28/h18H,3-17H2,1-2H3,(H,24,30)(H,25,31)
InChIKey
JPSOMVHAJCTVMS-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 4-[1,3-bis[2-(2-methoxyethoxy)ethylcarbamoyloxy]propan-2-yloxy]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

565.2483 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 566.25558 243.3
[M+Na]+ 588.23752 247.5
[M+NH4]+ 583.28212 249.7
[M+K]+ 604.21146 246.3
[M-H]- 564.24102 245.1
[M+Na-2H]- 586.22297 248.5
[M]+ 565.24775 245.2
[M]- 565.24885 245.2
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.