PubChemLite - N,n'-ethylenebis(linoleic amide) (C38H68N2O2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C38H68N2O2/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/h11-14,17-20H,3-10,15-16,21-36H2,1-2H3,(H,39,41)(H,40,42)/b13-11-,14-12-,19-17-,20-18-

InChIKey

SRGYBLJHKNFHPU-MAZCIEHSSA-N

Compound name

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

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]+	585.53538	267.8
[M+Na]+	607.51732	278.2
[M-H]-	583.52082	257.3
[M+NH4]+	602.56192	267.3
[M+K]+	623.49126	276.4
[M+H-H2O]+	567.52536	265.5
[M+HCOO]-	629.52630	271.7
[M+CH3COO]-	643.54195	268.3
[M+Na-2H]-	605.50277	251.9
[M]+	584.52755	262.1
[M]-	584.52865	262.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

585.53538

267.8

[M+Na]+

607.51732

278.2

[M-H]-

583.52082

257.3

[M+NH4]+

602.56192

267.3

[M+K]+

623.49126

276.4

[M+H-H2O]+

567.52536

265.5

[M+HCOO]-

629.52630

271.7

[M+CH3COO]-

643.54195

268.3

[M+Na-2H]-

605.50277

251.9

[M]+

584.52755

262.1

[M]-

584.52865

262.1

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

N,n'-ethylenebis(linoleic amide)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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