CID 3022627

Hyroxyethyl stearic isopropanolamide

Structural Information

Molecular Formula

C₂₃H₄₇NO₃

SMILES

CCCCCCCCCCCCCCCCCC(=O)NCC(C)OCCO

InChI

InChI=1S/C23H47NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)24-21-22(2)27-20-19-25/h22,25H,3-21H2,1-2H3,(H,24,26)

InChIKey

XWMOKHVPUSDTLM-UHFFFAOYSA-N

Compound name

N-[2-(2-hydroxyethoxy)propyl]octadecanamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 384
Patents: 385.3556 Da
Monoisotopic Mass: 7.6
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]+	386.362876	208.4
[M+Na]+	408.344818	206.9
[M-H]-	384.348324	204.0
[M+NH4]+	403.389423	216.5
[M+K]+	424.318758	203.3
[M+H-H2O]+	368.352860	200.2
[M+HCOO]-	430.353801	224.6
[M+CH3COO]-	444.369451	226.2
[M+Na-2H]-	406.330266	203.7
[M]+	385.35505142	215.6
[M]-	385.35614858	215.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe