CID 131823304

Pg(i-12:0/i-24:0)

Structural Information

Molecular Formula
C42H83O10P
SMILES
CC(C)CCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)C)COP(=O)(O)OC[C@H](CO)O
InChI
InChI=1S/C42H83O10P/c1-37(2)29-25-21-17-15-13-11-9-7-5-6-8-10-12-14-16-18-24-28-32-42(46)52-40(36-51-53(47,48)50-34-39(44)33-43)35-49-41(45)31-27-23-20-19-22-26-30-38(3)4/h37-40,43-44H,5-36H2,1-4H3,(H,47,48)/t39-,40+/m0/s1
InChIKey
DWEXLBSCEUCMLO-IOLBBIBUSA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-(10-methylundecanoyloxy)propan-2-yl] 22-methyltricosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

778.5724 Da
Monoisotopic Mass

13.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 779.57968 290.4
[M+Na]+ 801.56162 289.6
[M+NH4]+ 796.60622 296.9
[M+K]+ 817.53556 292.0
[M-H]- 777.56512 281.5
[M+Na-2H]- 799.54707 288.7
[M]+ 778.57185 288.9
[M]- 778.57295 288.9
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.