PubChemLite - 1,2-distearoyl-sn-glycero-3-phosphoethanolamine (C41H82NO8P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C41H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39H,3-38,42H2,1-2H3,(H,45,46)/t39-/m1/s1

InChIKey

LVNGJLRDBYCPGB-LDLOPFEMSA-N

Compound name

[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate

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]+	748.58508	284.0
[M+Na]+	770.56702	286.6
[M+NH4]+	765.61162	288.9
[M+K]+	786.54096	287.4
[M-H]-	746.57052	273.0
[M+Na-2H]-	768.55247	282.7
[M]+	747.57725	282.3
[M]-	747.57835	282.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

748.58508

284.0

[M+Na]+

770.56702

286.6

[M+NH4]+

765.61162

288.9

[M+K]+

786.54096

287.4

[M-H]-

746.57052

273.0

[M+Na-2H]-

768.55247

282.7

[M]+

747.57725

282.3

[M]-

747.57835

282.3

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

1,2-distearoyl-sn-glycero-3-phosphoethanolamine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe