PubChemLite - Aminoethylethanolamine, bis(stearamide) (C40H80N2O3)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCC(=O)NCCN(CCO)C(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C40H80N2O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)41-35-36-42(37-38-43)40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h43H,3-38H2,1-2H3,(H,41,44)

InChIKey

BUXIQCHPJNBMRH-UHFFFAOYSA-N

Compound name

N-[2-[2-hydroxyethyl(octadecanoyl)amino]ethyl]octadecanamide

Related CIDs

2D Structure

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]+	637.62418	283.6
[M+Na]+	659.60612	291.3
[M-H]-	635.60962	271.4
[M+NH4]+	654.65072	284.2
[M+K]+	675.58006	292.6
[M+H-H2O]+	619.61416	281.8
[M+HCOO]-	681.61510	281.1
[M+CH3COO]-	695.63075	281.2
[M+Na-2H]-	657.59157	265.2
[M]+	636.61635	278.9
[M]-	636.61745	278.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

637.62418

283.6

[M+Na]+

659.60612

291.3

[M-H]-

635.60962

271.4

[M+NH4]+

654.65072

284.2

[M+K]+

675.58006

292.6

[M+H-H2O]+

619.61416

281.8

[M+HCOO]-

681.61510

281.1

[M+CH3COO]-

695.63075

281.2

[M+Na-2H]-

657.59157

265.2

[M]+

636.61635

278.9

[M]-

636.61745

278.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Aminoethylethanolamine, bis(stearamide)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe