CID 52927456

Pg(17:0/0:0)

Structural Information

Molecular Formula
C23H47O9P
SMILES
CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)O
InChI
InChI=1S/C23H47O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23(27)30-18-22(26)20-32-33(28,29)31-19-21(25)17-24/h21-22,24-26H,2-20H2,1H3,(H,28,29)/t21-,22+/m0/s1
InChIKey
WVMGNTLVBBZPKS-FCHUYYIVSA-N
Compound name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] heptadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

498.29578 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.30306 222.6
[M+Na]+ 521.28500 222.6
[M-H]- 497.28850 215.8
[M+NH4]+ 516.32960 222.4
[M+K]+ 537.25894 219.5
[M+H-H2O]+ 481.29304 212.2
[M+HCOO]- 543.29398 225.1
[M+CH3COO]- 557.30963 233.3
[M+Na-2H]- 519.27045 205.3
[M]+ 498.29523 218.6
[M]- 498.29633 218.6
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

patents stripe