CID 5313686

Pc(22:0/26:0)

Structural Information

Molecular Formula
C56H113NO8P
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C56H112NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-28-29-31-33-35-37-39-41-43-45-47-49-56(59)65-54(53-64-66(60,61)63-51-50-57(3,4)5)52-62-55(58)48-46-44-42-40-38-36-34-32-30-25-23-21-19-17-15-13-11-9-7-2/h54H,6-53H2,1-5H3/p+1/t54-/m1/s1
InChIKey
SMPIPCCPMRDWAX-AXAMJWTMSA-O
Compound name
2-[[(2R)-3-docosanoyloxy-2-hexacosanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

958.8204 Da
Monoisotopic Mass

22.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 959.82768 332.3
[M+Na]+ 981.80962 330.9
[M-H]- 957.81312 320.0
[M+NH4]+ 976.85422 340.1
[M+K]+ 997.78356 340.0
[M+H-H2O]+ 941.81766 316.1
[M+HCOO]- 1003.8186 331.4
[M+CH3COO]- 1017.8343 324.2
[M+Na-2H]- 979.79507 305.4
[M]+ 958.81985 332.6
[M]- 958.82095 332.6
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

patents stripe