CID 52927128

Pg(20:0/20:0)

Structural Information

Molecular Formula
C46H91O10P
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C46H91O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-45(49)53-41-44(42-55-57(51,52)54-40-43(48)39-47)56-46(50)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h43-44,47-48H,3-42H2,1-2H3,(H,51,52)/t43-,44+/m0/s1
InChIKey
RRIFVJOWSBHACL-JCGOJSMZSA-N
Compound name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-icosanoyloxypropyl] icosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

834.635 Da
Monoisotopic Mass

16.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 835.64228 302.5
[M+Na]+ 857.62422 301.4
[M+NH4]+ 852.66882 307.2
[M+K]+ 873.59816 304.3
[M-H]- 833.62772 289.9
[M+Na-2H]- 855.60967 298.9
[M]+ 834.63445 299.9
[M]- 834.63555 299.9
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.