CID 129628068

Isostearamidopropyl morpholine oxide

Structural Information

Molecular Formula
C25H50N2O3
SMILES
CC(C)CCCCCCCCCCCCCCC(=O)NCCC[N+]1(CCOCC1)[O-]
InChI
InChI=1S/C25H50N2O3/c1-24(2)16-13-11-9-7-5-3-4-6-8-10-12-14-17-25(28)26-18-15-19-27(29)20-22-30-23-21-27/h24H,3-23H2,1-2H3,(H,26,28)
InChIKey
PEWFHTFASPEWFH-UHFFFAOYSA-N
Compound name
16-methyl-N-[3-(4-oxidomorpholin-4-ium-4-yl)propyl]heptadecanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

463
Patents

426.38214 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.38942 217.0
[M+Na]+ 449.37136 213.5
[M-H]- 425.37486 214.3
[M+NH4]+ 444.41596 224.6
[M+K]+ 465.34530 205.6
[M+H-H2O]+ 409.37940 212.8
[M+HCOO]- 471.38034 228.3
[M+CH3COO]- 485.39599 223.5
[M+Na-2H]- 447.35681 215.5
[M]+ 426.38159 217.0
[M]- 426.38269 217.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe