CID 71587424

Ricinoleamidopropyl ethyldimonium ethosulfate

Structural Information

Molecular Formula
C25H51N2O2
SMILES
CCCCCC[C@H](C/C=C\CCCCCCCC(=O)NCCC[N+](C)(C)CC)O
InChI
InChI=1S/C25H50N2O2/c1-5-7-8-15-19-24(28)20-16-13-11-9-10-12-14-17-21-25(29)26-22-18-23-27(3,4)6-2/h13,16,24,28H,5-12,14-15,17-23H2,1-4H3/p+1/b16-13-/t24-/m1/s1
InChIKey
KAYAUXZFUQHQIO-ODTUPPAISA-O
Compound name
ethyl-[3-[[(Z,12R)-12-hydroxyoctadec-9-enoyl]amino]propyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

100
Patents

411.39505 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.40233 211.5
[M+Na]+ 434.38427 217.1
[M+NH4]+ 429.42887 195.2
[M+K]+ 450.35821 210.6
[M-H]- 410.38777 211.2
[M+Na-2H]- 432.36972 210.5
[M]+ 411.39450 212.1
[M]- 411.39560 212.1
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.