CID 28262

17089-58-6

Structural Information

Molecular Formula
C23H50N3O4
SMILES
CC[N+](C)(CC)CCOC(=O)CC[N+](C)(CC)CCC(=O)OCC[N+](C)(CC)CC
InChI
InChI=1S/C23H50N3O4/c1-9-24(6,10-2)18-20-29-22(27)14-16-26(8,13-5)17-15-23(28)30-21-19-25(7,11-3)12-4/h9-21H2,1-8H3/q+3
InChIKey
FJLGCADIKZBPKU-UHFFFAOYSA-N
Compound name
bis[3-[2-[diethyl(methyl)azaniumyl]ethoxy]-3-oxopropyl]-ethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.38013 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.38741 251.1
[M+Na]+ 455.36935 259.6
[M-H]- 431.37285 255.5
[M+NH4]+ 450.41395 258.6
[M+K]+ 471.34329 252.0
[M+H-H2O]+ 415.37739 235.0
[M+HCOO]- 477.37833 271.6
[M+CH3COO]- 491.39398 227.2
[M+Na-2H]- 453.35480 240.2
[M]+ 432.37958 249.1
[M]- 432.38068 249.1
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.