CID 52926322

Pg(12:0/19:0)

Structural Information

Molecular Formula
C37H73O10P
SMILES
CCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)(O)OC[C@H](CO)O
InChI
InChI=1S/C37H73O10P/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-29-37(41)47-35(33-46-48(42,43)45-31-34(39)30-38)32-44-36(40)28-26-24-22-20-12-10-8-6-4-2/h34-35,38-39H,3-33H2,1-2H3,(H,42,43)/t34-,35+/m0/s1
InChIKey
ISKGHSOAUJFSJZ-OIDHKYIRSA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-dodecanoyloxypropan-2-yl] nonadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

708.49414 Da
Monoisotopic Mass

11.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 709.50142 274.4
[M+Na]+ 731.48336 273.5
[M-H]- 707.48686 265.5
[M+NH4]+ 726.52796 278.9
[M+K]+ 747.45730 276.1
[M+H-H2O]+ 691.49140 264.4
[M+HCOO]- 753.49234 271.3
[M+CH3COO]- 767.50799 275.1
[M+Na-2H]- 729.46881 252.4
[M]+ 708.49359 273.0
[M]- 708.49469 273.0
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.