CID 119025996

Peg-3 oleamide

Structural Information

Molecular Formula
C24H47NO4
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)NCCOCCOCCO
InChI
InChI=1S/C24H47NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(27)25-18-20-28-22-23-29-21-19-26/h9-10,26H,2-8,11-23H2,1H3,(H,25,27)/b10-9-
InChIKey
MOUZJOLAMBUMFE-KTKRTIGZSA-N
Compound name
(Z)-N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]octadec-9-enamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

422
Patents

413.3505 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.35778 212.1
[M+Na]+ 436.33972 210.7
[M-H]- 412.34322 207.5
[M+NH4]+ 431.38432 219.8
[M+K]+ 452.31366 206.3
[M+H-H2O]+ 396.34776 203.5
[M+HCOO]- 458.34870 231.4
[M+CH3COO]- 472.36435 228.8
[M+Na-2H]- 434.32517 208.5
[M]+ 413.34995 221.0
[M]- 413.35105 221.0
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

patents stripe