CID 6912993

Dtxsid70884192

Structural Information

Molecular Formula

C₂₂H₄₄N₂O₂

SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)NCCNCCO

InChI

InChI=1S/C22H44N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)24-19-18-23-20-21-25/h9-10,23,25H,2-8,11-21H2,1H3,(H,24,26)/b10-9-

InChIKey

NCMWZIWWCKZTJY-KTKRTIGZSA-N

Compound name

(Z)-N-[2-(2-hydroxyethylamino)ethyl]octadec-9-enamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 41
Patents: 368.34027 Da
Monoisotopic Mass: 5.9
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]+	369.347546	201.3
[M+Na]+	391.329488	200.0
[M-H]-	367.332994	197.0
[M+NH4]+	386.374093	212.3
[M+K]+	407.303428	195.0
[M+H-H2O]+	351.337530	192.9
[M+HCOO]-	413.338471	220.2
[M+CH3COO]-	427.354121	224.2
[M+Na-2H]-	389.314936	198.8
[M]+	368.33972142	205.7
[M]-	368.34081858	205.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe