68298-14-6 (C34H78N10O2)

Structural Information

Molecular Formula

SMILES

CCCCCCCCC(C(CCCCCCCC(=O)NCCNCCNCCNCCN)NCCNCCNCCNCCN)O

InChI

InChI=1S/C34H78N10O2/c1-2-3-4-5-8-11-14-33(45)32(43-30-28-41-26-24-39-22-20-37-18-16-35)13-10-7-6-9-12-15-34(46)44-31-29-42-27-25-40-23-21-38-19-17-36/h32-33,37-43,45H,2-31,35-36H2,1H3,(H,44,46)

InChIKey

LRSGPYSVXWNMKD-UHFFFAOYSA-N

Compound name

N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]-9-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]-10-hydroxyoctadecanamide

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]+	659.638176	290.2
[M+Na]+	681.620118	304.0
[M-H]-	657.623624	294.2
[M+NH4]+	676.664723	278.7
[M+K]+	697.594058	296.2
[M+H-H2O]+	641.628160	279.4
[M+HCOO]-	703.629101	270.8
[M+CH3COO]-	717.644751	300.2
[M+Na-2H]-	679.605566	271.7
[M]+	658.63035142	265.0
[M]-	658.63144858	265.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

659.638176

290.2

[M+Na]+

681.620118

304.0

[M-H]-

657.623624

294.2

[M+NH4]+

676.664723

278.7

[M+K]+

697.594058

296.2

[M+H-H2O]+

641.628160

279.4

[M+HCOO]-

703.629101

270.8

[M+CH3COO]-

717.644751

300.2

[M+Na-2H]-

679.605566

271.7

[M]+

658.63035142

265.0

[M]-

658.63144858

265.0

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

68298-14-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe