CID 52926353

Pg(13:0/22:0)

Structural Information

Molecular Formula
C41H81O10P
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COP(=O)(O)OC[C@H](CO)O
InChI
InChI=1S/C41H81O10P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-41(45)51-39(37-50-52(46,47)49-35-38(43)34-42)36-48-40(44)32-30-28-26-24-14-12-10-8-6-4-2/h38-39,42-43H,3-37H2,1-2H3,(H,46,47)/t38-,39+/m0/s1
InChIKey
JCSBQIAIVRILDE-ZESVVUHVSA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-tridecanoyloxypropan-2-yl] docosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

764.55676 Da
Monoisotopic Mass

13.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 765.56404 287.5
[M+Na]+ 787.54598 286.0
[M-H]- 763.54948 277.1
[M+NH4]+ 782.59058 292.0
[M+K]+ 803.51992 290.2
[M+H-H2O]+ 747.55402 277.1
[M+HCOO]- 809.55496 282.8
[M+CH3COO]- 823.57061 285.6
[M+Na-2H]- 785.53143 263.9
[M]+ 764.55621 286.5
[M]- 764.55731 286.5
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.