CID 8838

141-21-9

Structural Information

Molecular Formula

C₂₂H₄₆N₂O₂

SMILES

CCCCCCCCCCCCCCCCCC(=O)NCCNCCO

InChI

InChI=1S/C22H46N2O2/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/h23,25H,2-21H2,1H3,(H,24,26)

InChIKey

KWTFEBYZFYIHFO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 67
Patents: 370.35593 Da
Monoisotopic Mass: 6.8
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]+	371.36321	202.4
[M+Na]+	393.34515	200.7
[M-H]-	369.34865	198.1
[M+NH4]+	388.38975	213.4
[M+K]+	409.31909	196.4
[M+H-H2O]+	353.35319	193.9
[M+HCOO]-	415.35413	221.1
[M+CH3COO]-	429.36978	225.6
[M+Na-2H]-	391.33060	199.9
[M]+	370.35538	207.6
[M]-	370.35648	207.6

Literature stripe

literature stripe

Patent stripe

patents stripe