CID 85782123

Schembl17817134

Structural Information

Molecular Formula

C₂₂H₄₅NO₃

SMILES

CCCCCCCCCCCCCCCCCC(=O)NCCOCCO

InChI

InChI=1S/C22H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(25)23-18-20-26-21-19-24/h24H,2-21H2,1H3,(H,23,25)

InChIKey

LFKAKTJJVHTSDI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 8
Patents: 371.33994 Da
Monoisotopic Mass: 7.1
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]+	372.34722	201.0
[M+Na]+	394.32916	205.7
[M+NH4]+	389.37376	204.6
[M+K]+	410.30310	198.0
[M-H]-	370.33266	198.6
[M+Na-2H]-	392.31461	199.2
[M]+	371.33939	200.4
[M]-	371.34049	200.4

Literature stripe

literature stripe

Patent stripe

patents stripe