CID 53478868

Pc(18:4(6z,9z,12z,15z)/24:0)

Structural Information

Molecular Formula
C50H93NO8P
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C50H92NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,28,32,34,48H,6-8,10,12-14,16,18-20,22-27,29-31,33,35-47H2,1-5H3/p+1/b11-9-,17-15-,28-21-,34-32-/t48-/m1/s1
InChIKey
BOJNWKCDIBUHSO-XHOIARRISA-O
Compound name
2-[hydroxy-[(2R)-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-2-tetracosanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

866.6639 Da
Monoisotopic Mass

16.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 867.67118 304.0
[M+Na]+ 889.65312 305.6
[M+NH4]+ 884.69772 282.4
[M+K]+ 905.62706 311.3
[M-H]- 865.65662 265.2
[M+Na-2H]- 887.63857 290.1
[M]+ 866.66335 303.7
[M]- 866.66445 303.7
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.