CID 52927329

Pg(o-16:0/17:0)

Structural Information

Molecular Formula
C39H79O9P
SMILES
CCCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@H](CO)O
InChI
InChI=1S/C39H79O9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-39(42)48-38(36-47-49(43,44)46-34-37(41)33-40)35-45-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-38,40-41H,3-36H2,1-2H3,(H,43,44)/t37-,38+/m0/s1
InChIKey
CZCRLFARKLYMOY-QPPIDDCLSA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-hexadecoxypropan-2-yl] heptadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

722.54614 Da
Monoisotopic Mass

13.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 723.55342 279.4
[M+Na]+ 745.53536 277.6
[M-H]- 721.53886 266.8
[M+NH4]+ 740.57996 281.2
[M+K]+ 761.50930 281.0
[M+H-H2O]+ 705.54340 268.4
[M+HCOO]- 767.54434 277.1
[M+CH3COO]- 781.55999 279.3
[M+Na-2H]- 743.52081 255.9
[M]+ 722.54559 277.3
[M]- 722.54669 277.3
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.