CID 52927294

Pg(o-20:0/15:1(9z))

Structural Information

Molecular Formula
C41H81O9P
SMILES
CCCCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCC/C=C\CCCCC
InChI
InChI=1S/C41H81O9P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-47-37-40(38-49-51(45,46)48-36-39(43)35-42)50-41(44)33-31-29-27-25-23-16-14-12-10-8-6-4-2/h12,14,39-40,42-43H,3-11,13,15-38H2,1-2H3,(H,45,46)/b14-12-/t39-,40+/m0/s1
InChIKey
WUOKDSYQLOYDJU-BQLILCRZSA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-icosoxypropan-2-yl] (Z)-pentadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

748.5618 Da
Monoisotopic Mass

13.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 749.56908 283.5
[M+Na]+ 771.55102 281.9
[M-H]- 747.55452 271.0
[M+NH4]+ 766.59562 285.6
[M+K]+ 787.52496 285.8
[M+H-H2O]+ 731.55906 272.4
[M+HCOO]- 793.56000 281.3
[M+CH3COO]- 807.57565 283.4
[M+Na-2H]- 769.53647 259.8
[M]+ 748.56125 281.4
[M]- 748.56235 281.4
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.