CID 52926724

Pg(19:0/17:0)

Structural Information

Molecular Formula
C42H83O10P
SMILES
CCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCCCCCCCC
InChI
InChI=1S/C42H83O10P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h39-40,43-44H,3-38H2,1-2H3,(H,47,48)/t39-,40+/m0/s1
InChIKey
OBCQBHSYJXRZTI-IOLBBIBUSA-N
Compound name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-heptadecanoyloxypropyl] nonadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

778.5724 Da
Monoisotopic Mass

14.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 779.57968 290.7
[M+Na]+ 801.56162 289.0
[M-H]- 777.56512 280.0
[M+NH4]+ 796.60622 295.2
[M+K]+ 817.53556 293.6
[M+H-H2O]+ 761.56966 280.2
[M+HCOO]- 823.57060 285.6
[M+CH3COO]- 837.58625 288.2
[M+Na-2H]- 799.54707 266.7
[M]+ 778.57185 289.9
[M]- 778.57295 289.9
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.