CID 28260

(diethyliminiobis(((ethylenecarbonyl)oxy)ethylene))bis(triethylammonium) triiodide

Structural Information

Molecular Formula
C26H56N3O4
SMILES
CC[N+](CC)(CC)CCOC(=O)CC[N+](CC)(CC)CCC(=O)OCC[N+](CC)(CC)CC
InChI
InChI=1S/C26H56N3O4/c1-9-27(10-2,11-3)21-23-32-25(30)17-19-29(15-7,16-8)20-18-26(31)33-24-22-28(12-4,13-5)14-6/h9-24H2,1-8H3/q+3
InChIKey
MAWHMZLWPSPTGN-UHFFFAOYSA-N
Compound name
diethyl-bis[3-oxo-3-[2-(triethylazaniumyl)ethoxy]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.4271 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.43438 261.7
[M+Na]+ 497.41632 269.5
[M-H]- 473.41982 265.1
[M+NH4]+ 492.46092 269.0
[M+K]+ 513.39026 263.1
[M+H-H2O]+ 457.42436 245.1
[M+HCOO]- 519.42530 281.0
[M+CH3COO]- 533.44095 235.6
[M+Na-2H]- 495.40177 249.4
[M]+ 474.42655 259.2
[M]- 474.42765 259.2
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.