PubChemLite - Glycolipids (C24H50N2O6P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)OCC[N+](C)(C)C)NC=O)O

InChI

InChI=1S/C24H49N2O6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(28)23(25-22-27)21-32-33(29,30)31-20-19-26(2,3)4/h17-18,22-24,28H,5-16,19-21H2,1-4H3,(H-,25,27,29,30)/p+1/b18-17+/t23-,24+/m0/s1

InChIKey

LRYZPFWEZHSTHD-HEFFAWAOSA-O

Compound name

2-[[(E,2S,3R)-2-formamido-3-hydroxyoctadec-4-enoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

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]+	494.34792	229.0
[M+Na]+	516.32986	234.0
[M-H]-	492.33336	227.5
[M+NH4]+	511.37446	231.1
[M+K]+	532.30380	228.4
[M+H-H2O]+	476.33790	212.9
[M+HCOO]-	538.33884	239.4
[M+CH3COO]-	552.35449	238.4
[M+Na-2H]-	514.31531	213.7
[M]+	493.34009	222.7
[M]-	493.34119	222.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

494.34792

229.0

[M+Na]+

516.32986

234.0

[M-H]-

492.33336

227.5

[M+NH4]+

511.37446

231.1

[M+K]+

532.30380

228.4

[M+H-H2O]+

476.33790

212.9

[M+HCOO]-

538.33884

239.4

[M+CH3COO]-

552.35449

238.4

[M+Na-2H]-

514.31531

213.7

[M]+

493.34009

222.7

[M]-

493.34119

222.7

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

Glycolipids

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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