CID 52927324

Pg(o-16:0/19:0)

Structural Information

Molecular Formula
C41H83O9P
SMILES
CCCCCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@H](CO)O
InChI
InChI=1S/C41H83O9P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-41(44)50-40(38-49-51(45,46)48-36-39(43)35-42)37-47-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h39-40,42-43H,3-38H2,1-2H3,(H,45,46)/t39-,40+/m0/s1
InChIKey
VTUCJDKYMMUFRL-IOLBBIBUSA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-hexadecoxypropan-2-yl] nonadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

750.57745 Da
Monoisotopic Mass

14.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 751.58473 285.9
[M+Na]+ 773.56667 283.7
[M-H]- 749.57017 272.6
[M+NH4]+ 768.61127 287.7
[M+K]+ 789.54061 288.0
[M+H-H2O]+ 733.57471 274.7
[M+HCOO]- 795.57565 282.9
[M+CH3COO]- 809.59130 284.5
[M+Na-2H]- 771.55212 261.6
[M]+ 750.57690 284.0
[M]- 750.57800 284.0
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.