CID 131823318

Pg(i-13:0/i-19:0)

Structural Information

Molecular Formula
C38H75O10P
SMILES
CC(C)CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)(O)OC[C@H](CO)O
InChI
InChI=1S/C38H75O10P/c1-33(2)25-21-17-13-10-8-6-5-7-9-11-15-20-24-28-38(42)48-36(32-47-49(43,44)46-30-35(40)29-39)31-45-37(41)27-23-19-16-12-14-18-22-26-34(3)4/h33-36,39-40H,5-32H2,1-4H3,(H,43,44)/t35-,36+/m0/s1
InChIKey
QXCMLNMRTMNNQF-MPQUPPDSSA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-(11-methyldodecanoyloxy)propan-2-yl] 17-methyloctadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

722.50977 Da
Monoisotopic Mass

11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 723.51705 276.7
[M+Na]+ 745.49899 276.7
[M-H]- 721.50249 270.5
[M+NH4]+ 740.54359 284.4
[M+K]+ 761.47293 280.8
[M+H-H2O]+ 705.50703 267.8
[M+HCOO]- 767.50797 268.4
[M+CH3COO]- 781.52362 279.1
[M+Na-2H]- 743.48444 255.7
[M]+ 722.50922 276.2
[M]- 722.51032 276.2
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.