CID 52927398

Pg(p-20:0/14:0)

Structural Information

Molecular Formula
C40H79O9P
SMILES
CCCCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/C40H79O9P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-33-46-36-39(37-48-50(44,45)47-35-38(42)34-41)49-40(43)32-30-28-26-24-22-14-12-10-8-6-4-2/h31,33,38-39,41-42H,3-30,32,34-37H2,1-2H3,(H,44,45)/b33-31-/t38-,39+/m0/s1
InChIKey
LOVRXYUUCRKYHE-UDZAHPOESA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-icos-1-enoxy]propan-2-yl] tetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

734.54614 Da
Monoisotopic Mass

13.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 735.55342 280.2
[M+Na]+ 757.53536 278.9
[M-H]- 733.53886 268.1
[M+NH4]+ 752.57996 282.4
[M+K]+ 773.50930 282.3
[M+H-H2O]+ 717.54340 269.2
[M+HCOO]- 779.54434 278.5
[M+CH3COO]- 793.55999 280.8
[M+Na-2H]- 755.52081 256.9
[M]+ 734.54559 278.1
[M]- 734.54669 278.1
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.