CID 52927207

Pg(22:0/22:0)

Structural Information

Molecular Formula
C50H99O10P
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C50H99O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-49(53)57-45-48(46-59-61(55,56)58-44-47(52)43-51)60-50(54)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h47-48,51-52H,3-46H2,1-2H3,(H,55,56)/t47-,48+/m0/s1
InChIKey
BRMRWYDGBOYSQF-JYHRMSDVSA-N
Compound name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-docosanoyloxypropyl] docosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

890.6976 Da
Monoisotopic Mass

18.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 891.70488 315.7
[M+Na]+ 913.68682 312.7
[M-H]- 889.69032 301.9
[M+NH4]+ 908.73142 320.2
[M+K]+ 929.66076 320.6
[M+H-H2O]+ 873.69486 304.5
[M+HCOO]- 935.69580 307.6
[M+CH3COO]- 949.71145 308.3
[M+Na-2H]- 911.67227 288.7
[M]+ 890.69705 316.1
[M]- 890.69815 316.1
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.