PubChemLite - Dtxsid401344807 (C34H68NO8P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC)OC(=O)CCCCCCCCCCCCC

InChI

InChI=1S/C34H68NO8P/c1-4-6-8-10-12-14-16-18-20-22-24-26-33(36)40-30-32(31-42-44(38,39)41-29-28-35-3)43-34(37)27-25-23-21-19-17-15-13-11-9-7-5-2/h32,35H,4-31H2,1-3H3,(H,38,39)

InChIKey

JYWNCNMWXJZGME-UHFFFAOYSA-N

Compound name

[3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate

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]+	650.47554	266.2
[M+Na]+	672.45748	269.5
[M-H]-	648.46098	258.9
[M+NH4]+	667.50208	271.4
[M+K]+	688.43142	269.4
[M+H-H2O]+	632.46552	257.1
[M+HCOO]-	694.46646	268.2
[M+CH3COO]-	708.48211	272.6
[M+Na-2H]-	670.44293	246.6
[M]+	649.46771	263.3
[M]-	649.46881	263.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

650.47554

266.2

[M+Na]+

672.45748

269.5

[M-H]-

648.46098

258.9

[M+NH4]+

667.50208

271.4

[M+K]+

688.43142

269.4

[M+H-H2O]+

632.46552

257.1

[M+HCOO]-

694.46646

268.2

[M+CH3COO]-

708.48211

272.6

[M+Na-2H]-

670.44293

246.6

[M]+

649.46771

263.3

[M]-

649.46881

263.3

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

Dtxsid401344807

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe