CID 52927210

Pg(20:0/22:0)

Structural Information

Molecular Formula
C48H95O10P
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@H](CO)O
InChI
InChI=1S/C48H95O10P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-48(52)58-46(44-57-59(53,54)56-42-45(50)41-49)43-55-47(51)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h45-46,49-50H,3-44H2,1-2H3,(H,53,54)/t45-,46+/m0/s1
InChIKey
DGZMFCXXQXIQKW-CRCOQUFZSA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-icosanoyloxypropan-2-yl] docosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

862.66626 Da
Monoisotopic Mass

17.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 863.67354 309.6
[M+Na]+ 885.65548 306.9
[M-H]- 861.65898 296.6
[M+NH4]+ 880.70008 314.0
[M+K]+ 901.62942 314.0
[M+H-H2O]+ 845.66352 298.5
[M+HCOO]- 907.66446 302.2
[M+CH3COO]- 921.68011 303.4
[M+Na-2H]- 883.64093 283.4
[M]+ 862.66571 309.7
[M]- 862.66681 309.7
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

patents stripe