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

4
Annotation Hits: 0
References: 459
Patents: 413.3505 Da
Monoisotopic Mass: 6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	414.357776	212.1
[M+Na]+	436.339718	210.7
[M-H]-	412.343224	207.5
[M+NH4]+	431.384323	219.8
[M+K]+	452.313658	206.3
[M+H-H2O]+	396.347760	203.5
[M+HCOO]-	458.348701	231.4
[M+CH3COO]-	472.364351	228.8
[M+Na-2H]-	434.325166	208.5
[M]+	413.34995142	221.0
[M]-	413.35104858	221.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe