CID 52926739

Pg(19:0/21:0)

Structural Information

Molecular Formula
C46H91O10P
SMILES
CCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@H](CO)O
InChI
InChI=1S/C46H91O10P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h43-44,47-48H,3-42H2,1-2H3,(H,51,52)/t43-,44+/m0/s1
InChIKey
CNZYXRWOPYTPBE-JCGOJSMZSA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-nonadecanoyloxypropan-2-yl] henicosanoate
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 303.4
[M+Na]+ 857.62422 301.0
[M-H]- 833.62772 291.1
[M+NH4]+ 852.66882 307.8
[M+K]+ 873.59816 307.3
[M+H-H2O]+ 817.63226 292.5
[M+HCOO]- 879.63320 296.8
[M+CH3COO]- 893.64885 298.4
[M+Na-2H]- 855.60967 277.9
[M]+ 834.63445 303.1
[M]- 834.63555 303.1
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.