CID 131823321

Pg(i-13:0/i-22:0)

Structural Information

Molecular Formula
C41H81O10P
SMILES
CC(C)CCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)(O)OC[C@H](CO)O
InChI
InChI=1S/C41H81O10P/c1-36(2)28-24-20-16-13-11-9-7-5-6-8-10-12-14-18-23-27-31-41(45)51-39(35-50-52(46,47)49-33-38(43)32-42)34-48-40(44)30-26-22-19-15-17-21-25-29-37(3)4/h36-39,42-43H,5-35H2,1-4H3,(H,46,47)/t38-,39+/m0/s1
InChIKey
ZCDOSGQRFIFBBV-ZESVVUHVSA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-(11-methyldodecanoyloxy)propan-2-yl] 20-methylhenicosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

764.55676 Da
Monoisotopic Mass

13.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 765.56404 287.1
[M+Na]+ 787.54598 286.5
[M+NH4]+ 782.59058 293.7
[M+K]+ 803.51992 288.6
[M-H]- 763.54948 278.6
[M+Na-2H]- 785.53143 285.8
[M]+ 764.55621 285.7
[M]- 764.55731 285.7
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.