CID 52927407

Pg(p-20:0/18:0)

Structural Information

Molecular Formula
C44H87O9P
SMILES
CCCCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C44H87O9P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-50-40-43(41-52-54(48,49)51-39-42(46)38-45)53-44(47)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h35,37,42-43,45-46H,3-34,36,38-41H2,1-2H3,(H,48,49)/b37-35-/t42-,43+/m0/s1
InChIKey
ULVHPANURPYHKV-GFGQAVJGSA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-icos-1-enoxy]propan-2-yl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

790.60876 Da
Monoisotopic Mass

16.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 791.61604 293.1
[M+Na]+ 813.59798 291.0
[M-H]- 789.60148 279.4
[M+NH4]+ 808.64258 295.2
[M+K]+ 829.57192 296.1
[M+H-H2O]+ 773.60602 281.7
[M+HCOO]- 835.60696 289.8
[M+CH3COO]- 849.62261 291.2
[M+Na-2H]- 811.58343 268.2
[M]+ 790.60821 291.4
[M]- 790.60931 291.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.