CID 52926582

Pg(18:0/19:0)

Structural Information

Molecular Formula
C43H85O10P
SMILES
CCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@H](CO)O
InChI
InChI=1S/C43H85O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-43(47)53-41(39-52-54(48,49)51-37-40(45)36-44)38-50-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h40-41,44-45H,3-39H2,1-2H3,(H,48,49)/t40-,41+/m0/s1
InChIKey
XQABIPXCSRJGET-WVILEFPPSA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-octadecanoyloxypropan-2-yl] nonadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

792.588 Da
Monoisotopic Mass

14.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 793.59528 293.9
[M+Na]+ 815.57722 292.0
[M-H]- 791.58072 282.8
[M+NH4]+ 810.62182 298.4
[M+K]+ 831.55116 297.1
[M+H-H2O]+ 775.58526 283.3
[M+HCOO]- 837.58620 288.4
[M+CH3COO]- 851.60185 290.8
[M+Na-2H]- 813.56267 269.6
[M]+ 792.58745 293.2
[M]- 792.58855 293.2
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.