CID 131822184

Pa(24:0/22:0)

Structural Information

Molecular Formula
C49H97O8P
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C49H97O8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-48(50)55-45-47(46-56-58(52,53)54)57-49(51)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h47H,3-46H2,1-2H3,(H2,52,53,54)/t47-/m1/s1
InChIKey
YQLQYDKPIOLBMO-QZNUWAOFSA-N
Compound name
[(2R)-2-docosanoyloxy-3-phosphonooxypropyl] tetracosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

844.6921 Da
Monoisotopic Mass

20.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 845.69938 308.3
[M+Na]+ 867.68132 307.6
[M+NH4]+ 862.72592 311.9
[M+K]+ 883.65526 310.3
[M-H]- 843.68482 292.3
[M+Na-2H]- 865.66677 303.5
[M]+ 844.69155 304.8
[M]- 844.69265 304.8
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.