CID 53479218

Pc(22:1(13z)/24:1(15z))

Structural Information

Molecular Formula
C54H105NO8P
SMILES
CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C54H104NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-45-47-54(57)63-52(51-62-64(58,59)61-49-48-55(3,4)5)50-60-53(56)46-44-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h20-23,52H,6-19,24-51H2,1-5H3/p+1/b22-20-,23-21-/t52-/m1/s1
InChIKey
VDIRTDRYUOVBQD-KZHJERBTSA-O
Compound name
2-[[(2R)-3-[(Z)-docos-13-enoyl]oxy-2-[(Z)-tetracos-15-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

926.75775 Da
Monoisotopic Mass

19.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 927.76503 319.2
[M+Na]+ 949.74697 319.5
[M+NH4]+ 944.79157 298.5
[M+K]+ 965.72091 323.8
[M-H]- 925.75047 278.5
[M+Na-2H]- 947.73242 303.4
[M]+ 926.75720 318.1
[M]- 926.75830 318.1
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.