CID 52929559

Pa(16:0/20:0)

Structural Information

Molecular Formula
C39H77O8P
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)O
InChI
InChI=1S/C39H77O8P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-39(41)47-37(36-46-48(42,43)44)35-45-38(40)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3,(H2,42,43,44)/t37-/m1/s1
InChIKey
MNVMSCIWUXXDOR-DIPNUNPCSA-N
Compound name
[(2R)-1-hexadecanoyloxy-3-phosphonooxypropan-2-yl] icosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

704.5356 Da
Monoisotopic Mass

15.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 705.54288 276.2
[M+Na]+ 727.52482 276.4
[M+NH4]+ 722.56942 280.1
[M+K]+ 743.49876 277.2
[M-H]- 703.52832 263.5
[M+Na-2H]- 725.51027 274.5
[M]+ 704.53505 273.4
[M]- 704.53615 273.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.