CID 57350411

518058-48-5

Structural Information

Molecular Formula
C24H44N2O10
SMILES
CCOC(=O)CC(C(=O)OCC)NCCCOCCOCCCNC(CC(=O)OCC)C(=O)OCC
InChI
InChI=1S/C24H44N2O10/c1-5-33-21(27)17-19(23(29)35-7-3)25-11-9-13-31-15-16-32-14-10-12-26-20(24(30)36-8-4)18-22(28)34-6-2/h19-20,25-26H,5-18H2,1-4H3
InChIKey
HYEPEKUWWCGVFS-UHFFFAOYSA-N
Compound name
diethyl 2-[3-[2-[3-[(1,4-diethoxy-1,4-dioxobutan-2-yl)amino]propoxy]ethoxy]propylamino]butanedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

520.2996 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.30688 239.1
[M+Na]+ 543.28882 248.5
[M-H]- 519.29232 243.3
[M+NH4]+ 538.33342 250.7
[M+K]+ 559.26276 243.4
[M+H-H2O]+ 503.29686 242.0
[M+HCOO]- 565.29780 237.5
[M+CH3COO]- 579.31345 249.5
[M+Na-2H]- 541.27427 228.0
[M]+ 520.29905 236.5
[M]- 520.30015 236.5
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