CID 3023585

Behenamide mea

Structural Information

Molecular Formula

C₂₄H₄₉NO₂

SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)NCCO

InChI

InChI=1S/C24H49NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h26H,2-23H2,1H3,(H,25,27)

InChIKey

XHFWUECSNJWBJU-UHFFFAOYSA-N

Compound name

N-(2-hydroxyethyl)docosanamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 1
References: 582
Patents: 383.37634 Da
Monoisotopic Mass: 9.4
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]+	384.38362	208.9
[M+Na]+	406.36556	207.3
[M-H]-	382.36906	204.2
[M+NH4]+	401.41016	219.7
[M+K]+	422.33950	202.3
[M+H-H2O]+	366.37360	200.6
[M+HCOO]-	428.37454	225.8
[M+CH3COO]-	442.39019	226.5
[M+Na-2H]-	404.35101	204.9
[M]+	383.37579	215.6
[M]-	383.37689	215.6

Literature stripe

literature stripe

Patent stripe

patents stripe