CID 131822575

Pa(i-22:0/i-24:0)

Structural Information

Molecular Formula
C49H97O8P
SMILES
CC(C)CCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COP(=O)(O)O
InChI
InChI=1S/C49H97O8P/c1-45(2)39-35-31-27-23-19-15-11-7-5-6-8-14-18-22-26-30-34-38-42-49(51)57-47(44-56-58(52,53)54)43-55-48(50)41-37-33-29-25-21-17-13-10-9-12-16-20-24-28-32-36-40-46(3)4/h45-47H,5-44H2,1-4H3,(H2,52,53,54)/t47-/m1/s1
InChIKey
MOEMGQGQMDLTKR-QZNUWAOFSA-N
Compound name
[(2R)-1-(20-methylhenicosanoyloxy)-3-phosphonooxypropan-2-yl] 22-methyltricosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

844.6921 Da
Monoisotopic Mass

20.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 845.69938 309.4
[M+Na]+ 867.68132 308.6
[M+NH4]+ 862.72592 314.6
[M+K]+ 883.65526 311.5
[M-H]- 843.68482 295.8
[M+Na-2H]- 865.66677 305.2
[M]+ 844.69155 306.7
[M]- 844.69265 306.7
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.