PubChemLite - N-(2-oleamidoethyl)-linoleamide (C38H70N2O2)

Structural Information

Molecular Formula

SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)NCCNC(=O)CCCCCCC/C=C\C/C=C\CCCCC

InChI

InChI=1S/C38H70N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(41)39-35-36-40-38(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20H,3-10,12,14-16,21-36H2,1-2H3,(H,39,41)(H,40,42)/b13-11-,19-17-,20-18-

InChIKey

ATOADJARINWOSC-LTEAFHAISA-N

Compound name

(Z)-N-[2-[[(9Z,12Z)-octadeca-9,12-dienoyl]amino]ethyl]octadec-9-enamide

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]+	587.55098	269.9
[M+Na]+	609.53292	279.7
[M-H]-	585.53642	258.7
[M+NH4]+	604.57752	269.1
[M+K]+	625.50686	278.4
[M+H-H2O]+	569.54096	267.7
[M+HCOO]-	631.54190	273.0
[M+CH3COO]-	645.55755	269.6
[M+Na-2H]-	607.51837	253.5
[M]+	586.54315	264.5
[M]-	586.54425	264.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

587.55098

269.9

[M+Na]+

609.53292

279.7

[M-H]-

585.53642

258.7

[M+NH4]+

604.57752

269.1

[M+K]+

625.50686

278.4

[M+H-H2O]+

569.54096

267.7

[M+HCOO]-

631.54190

273.0

[M+CH3COO]-

645.55755

269.6

[M+Na-2H]-

607.51837

253.5

[M]+

586.54315

264.5

[M]-

586.54425

264.5

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

N-(2-oleamidoethyl)-linoleamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe