CID 52929059

Pa(19:0/20:0)

Structural Information

Molecular Formula
C42H83O8P
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCC)COP(=O)(O)O
InChI
InChI=1S/C42H83O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(44)50-40(39-49-51(45,46)47)38-48-41(43)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h40H,3-39H2,1-2H3,(H2,45,46,47)/t40-/m1/s1
InChIKey
DEQWDWORTDIDNV-RRHRGVEJSA-N
Compound name
[(2R)-1-nonadecanoyloxy-3-phosphonooxypropan-2-yl] icosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

746.5826 Da
Monoisotopic Mass

16.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 747.58988 286.0
[M+Na]+ 769.57182 286.0
[M+NH4]+ 764.61642 289.8
[M+K]+ 785.54576 287.3
[M-H]- 745.57532 272.3
[M+Na-2H]- 767.55727 283.4
[M]+ 746.58205 283.0
[M]- 746.58315 283.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.