PubChemLite - Ps(14:0/18:2(9z,12z)) (C38H70NO10P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC

InChI

InChI=1S/C38H70NO10P/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/h11,13,16-17,34-35H,3-10,12,14-15,18-33,39H2,1-2H3,(H,42,43)(H,44,45)/b13-11-,17-16-/t34-,35+/m1/s1

InChIKey

QPLGPOYWQGNODB-OPLANILISA-N

Compound name

(2S)-2-amino-3-[hydroxy-[(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-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]+	732.48103	271.1
[M+Na]+	754.46297	274.7
[M+NH4]+	749.50757	278.0
[M+K]+	770.43691	275.5
[M-H]-	730.46647	267.0
[M+Na-2H]-	752.44842	272.7
[M]+	731.47320	271.5
[M]-	731.47430	271.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

732.48103

271.1

[M+Na]+

754.46297

274.7

[M+NH4]+

749.50757

278.0

[M+K]+

770.43691

275.5

[M-H]-

730.46647

267.0

[M+Na-2H]-

752.44842

272.7

[M]+

731.47320

271.5

[M]-

731.47430

271.5

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

Ps(14:0/18:2(9z,12z))

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe