CID 52929297

Pa(22:0/16:0)

Structural Information

Molecular Formula
C41H81O8P
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C41H81O8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(42)47-37-39(38-48-50(44,45)46)49-41(43)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h39H,3-38H2,1-2H3,(H2,44,45,46)/t39-/m1/s1
InChIKey
LNOYRJDKRMJGCC-LDLOPFEMSA-N
Compound name
[(2R)-2-hexadecanoyloxy-3-phosphonooxypropyl] docosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

732.5669 Da
Monoisotopic Mass

16.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 733.57418 282.7
[M+Na]+ 755.55612 282.8
[M+NH4]+ 750.60072 286.6
[M+K]+ 771.53006 284.0
[M-H]- 731.55962 269.4
[M+Na-2H]- 753.54157 280.4
[M]+ 732.56635 279.8
[M]- 732.56745 279.8
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.