CID 10327398

1-decanaminium, n,n'-((1,4-dioxo-1,4-butanediyl)bis(oxy-2,1-ethanediyl))bis(n,n-dimethyl-, diiodide

Structural Information

Molecular Formula
C32H66N2O4
SMILES
CCCCCCCCCC[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)CCCCCCCCCC
InChI
InChI=1S/C32H66N2O4/c1-7-9-11-13-15-17-19-21-25-33(3,4)27-29-37-31(35)23-24-32(36)38-30-28-34(5,6)26-22-20-18-16-14-12-10-8-2/h7-30H2,1-6H3/q+2
InChIKey
ZARJNLJEHGFGDN-UHFFFAOYSA-N
Compound name
decyl-[2-[4-[2-[decyl(dimethyl)azaniumyl]ethoxy]-4-oxobutanoyl]oxyethyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

542.50226 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.50954 258.2
[M+Na]+ 565.49148 261.6
[M+NH4]+ 560.53608 263.9
[M+K]+ 581.46542 265.6
[M-H]- 541.49498 251.3
[M+Na-2H]- 563.47693 246.5
[M]+ 542.50171 257.9
[M]- 542.50281 257.9
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.