CID 52927253

Pg(o-16:0/15:0)

Structural Information

Molecular Formula
C37H75O9P
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCCCCCC
InChI
InChI=1S/C37H75O9P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-43-33-36(34-45-47(41,42)44-32-35(39)31-38)46-37(40)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h35-36,38-39H,3-34H2,1-2H3,(H,41,42)/t35-,36+/m0/s1
InChIKey
ADZHXEDQOONQHS-MPQUPPDSSA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-hexadecoxypropan-2-yl] pentadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

694.5149 Da
Monoisotopic Mass

12.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 695.52218 272.8
[M+Na]+ 717.50412 271.3
[M-H]- 693.50762 260.9
[M+NH4]+ 712.54872 274.6
[M+K]+ 733.47806 273.9
[M+H-H2O]+ 677.51216 262.0
[M+HCOO]- 739.51310 271.3
[M+CH3COO]- 753.52875 274.0
[M+Na-2H]- 715.48957 250.1
[M]+ 694.51435 270.5
[M]- 694.51545 270.5
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.