1224728-09-9 (C34H70N4O13)

Structural Information

Molecular Formula

SMILES

C(CN)COCCOCCOCCCNC(=O)CCOCCOCCOCCOCCOCCC(=O)NCCCOCCOCCOCCCN

InChI

InChI=1S/C34H70N4O13/c35-7-1-11-41-17-23-47-25-19-43-13-3-9-37-33(39)5-15-45-21-27-49-29-31-51-32-30-50-28-22-46-16-6-34(40)38-10-4-14-44-20-26-48-24-18-42-12-2-8-36/h1-32,35-36H2,(H,37,39)(H,38,40)

InChIKey

VQBJUJRROIKNNI-UHFFFAOYSA-N

Compound name

N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-3-[2-[2-[2-[2-[3-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide

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]+	743.501236	290.1
[M+Na]+	765.483178	294.6
[M-H]-	741.486684	288.1
[M+NH4]+	760.527783	292.6
[M+K]+	781.457118	289.5
[M+H-H2O]+	725.491220	286.9
[M+HCOO]-	787.492161	286.3
[M+CH3COO]-	801.507811	290.6
[M+Na-2H]-	763.468626	269.3
[M]+	742.49341142	282.4
[M]-	742.49450858	282.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

743.501236

290.1

[M+Na]+

765.483178

294.6

[M-H]-

741.486684

288.1

[M+NH4]+

760.527783

292.6

[M+K]+

781.457118

289.5

[M+H-H2O]+

725.491220

286.9

[M+HCOO]-

787.492161

286.3

[M+CH3COO]-

801.507811

290.6

[M+Na-2H]-

763.468626

269.3

[M]+

742.49341142

282.4

[M]-

742.49450858

282.4

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

1224728-09-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe