PubChemLite - Tetraethylenepentaminodioleamide (C44H87N5O2)

Structural Information

Molecular Formula

SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C44H87N5O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(50)48-41-39-46-37-35-45-36-38-47-40-42-49-44(51)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,45-47H,3-16,21-42H2,1-2H3,(H,48,50)(H,49,51)/b19-17-,20-18-

InChIKey

KYVMYYMBMFHFLN-CLFAGFIQSA-N

Compound name

(Z)-N-[2-[2-[2-[2-[[(Z)-octadec-9-enoyl]amino]ethylamino]ethylamino]ethylamino]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]+	718.69328	311.3
[M+Na]+	740.67522	322.1
[M-H]-	716.67872	303.6
[M+NH4]+	735.71982	307.0
[M+K]+	756.64916	320.8
[M+H-H2O]+	700.68326	305.1
[M+HCOO]-	762.68420	304.9
[M+CH3COO]-	776.69985	302.1
[M+Na-2H]-	738.66067	290.2
[M]+	717.68545	298.5
[M]-	717.68655	298.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

718.69328

311.3

[M+Na]+

740.67522

322.1

[M-H]-

716.67872

303.6

[M+NH4]+

735.71982

307.0

[M+K]+

756.64916

320.8

[M+H-H2O]+

700.68326

305.1

[M+HCOO]-

762.68420

304.9

[M+CH3COO]-

776.69985

302.1

[M+Na-2H]-

738.66067

290.2

[M]+

717.68545

298.5

[M]-

717.68655

298.5

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

Tetraethylenepentaminodioleamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe