CID 52927463

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

Structural Information

Molecular Formula
C22H45O8P
SMILES
CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OC[C@H](CO)O)O
InChI
InChI=1S/C22H45O8P/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/h15-16,21-25H,2-14,17-20H2,1H3,(H,26,27)/b16-15-/t21-,22+/m0/s1
InChIKey
JJEPXEYYUADMMO-UBUYBAOQSA-N
Compound name
[(2S)-2,3-dihydroxypropyl] [(2R)-3-[(Z)-hexadec-1-enoxy]-2-hydroxypropyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

468.28522 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.29250 215.4
[M+Na]+ 491.27444 215.7
[M-H]- 467.27794 206.9
[M+NH4]+ 486.31904 213.1
[M+K]+ 507.24838 211.7
[M+H-H2O]+ 451.28248 204.6
[M+HCOO]- 513.28342 220.8
[M+CH3COO]- 527.29907 227.6
[M+Na-2H]- 489.25989 198.5
[M]+ 468.28467 210.9
[M]- 468.28577 210.9
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