CID 11540059

Pg(o-16:0/0:0)

Structural Information

Molecular Formula
C22H47O8P
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OC[C@H](CO)O)O
InChI
InChI=1S/C22H47O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-28-18-22(25)20-30-31(26,27)29-19-21(24)17-23/h21-25H,2-20H2,1H3,(H,26,27)/t21-,22+/m0/s1
InChIKey
NSJPSUNAUBAKMH-FCHUYYIVSA-N
Compound name
[(2S)-2,3-dihydroxypropyl] [(2R)-3-hexadecoxy-2-hydroxypropyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

470.30084 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.30812 218.0
[M+Na]+ 493.29006 217.6
[M-H]- 469.29356 208.6
[M+NH4]+ 488.33466 215.2
[M+K]+ 509.26400 214.1
[M+H-H2O]+ 453.29810 207.0
[M+HCOO]- 515.29904 222.5
[M+CH3COO]- 529.31469 229.0
[M+Na-2H]- 491.27551 200.5
[M]+ 470.30029 213.6
[M]- 470.30139 213.6
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