PubChemLite - Ps(14:0/18:0) (C38H74NO10P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](C(=O)O)N

InChI

InChI=1S/C38H74NO10P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-37(41)49-34(32-47-50(44,45)48-33-35(39)38(42)43)31-46-36(40)29-27-25-23-21-19-14-12-10-8-6-4-2/h34-35H,3-33,39H2,1-2H3,(H,42,43)(H,44,45)/t34-,35+/m1/s1

InChIKey

RVGPYZRIGMTXEE-GPOMZPHUSA-N

Compound name

(2S)-2-amino-3-[hydroxy-[(2R)-2-octadecanoyloxy-3-tetradecanoyloxypropoxy]phosphoryl]oxypropanoic acid

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]+	736.51228	276.1
[M+Na]+	758.49422	278.0
[M-H]-	734.49772	271.2
[M+NH4]+	753.53882	282.8
[M+K]+	774.46816	279.8
[M+H-H2O]+	718.50226	266.4
[M+HCOO]-	780.50320	269.9
[M+CH3COO]-	794.51885	284.8
[M+Na-2H]-	756.47967	255.3
[M]+	735.50445	273.2
[M]-	735.50555	273.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

736.51228

276.1

[M+Na]+

758.49422

278.0

[M-H]-

734.49772

271.2

[M+NH4]+

753.53882

282.8

[M+K]+

774.46816

279.8

[M+H-H2O]+

718.50226

266.4

[M+HCOO]-

780.50320

269.9

[M+CH3COO]-

794.51885

284.8

[M+Na-2H]-

756.47967

255.3

[M]+

735.50445

273.2

[M]-

735.50555

273.2

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

Ps(14:0/18:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe