PubChemLite - Lipofectamine (C54H107N6O5)

Structural Information

Molecular Formula

SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OCC(C[N+](C)(C)CCNC(=O)C(CCCNCCCN)NCCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C54H106N6O5/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-52(61)64-49-50(65-53(62)40-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)48-60(3,4)47-46-59-54(63)51(58-45-37-42-56)38-35-43-57-44-36-41-55/h19-22,50-51,57-58H,5-18,23-49,55-56H2,1-4H3/p+1/b21-19-,22-20-

InChIKey

SDUUFYGDEZFXCY-WRBBJXAJSA-O

Compound name

2-[2,5-bis(3-aminopropylamino)pentanoylamino]ethyl-[2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl]-dimethylazanium

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]+	920.83758	326.7
[M+Na]+	942.81952	336.2
[M-H]-	918.82302	326.8
[M+NH4]+	937.86412	329.6
[M+K]+	958.79346	338.3
[M+H-H2O]+	902.82756	315.5
[M+HCOO]-	964.82850	313.2
[M+CH3COO]-	978.84415	331.0
[M+Na-2H]-	940.80497	305.2
[M]+	919.82975	313.3
[M]-	919.83085	313.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

920.83758

326.7

[M+Na]+

942.81952

336.2

[M-H]-

918.82302

326.8

[M+NH4]+

937.86412

329.6

[M+K]+

958.79346

338.3

[M+H-H2O]+

902.82756

315.5

[M+HCOO]-

964.82850

313.2

[M+CH3COO]-

978.84415

331.0

[M+Na-2H]-

940.80497

305.2

[M]+

919.82975

313.3

[M]-

919.83085

313.3

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

Lipofectamine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe