CID 52922319

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

Structural Information

Molecular Formula
C41H75NO8P
SMILES
CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
InChI
InChI=1S/C41H74NO8P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42(3,4)5)37-47-40(43)33-31-29-27-25-23-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,24,26,39H,6-7,9,11-13,15,17-19,22-23,25,27-38H2,1-5H3/p+1/b10-8-,16-14-,21-20-,26-24-/t39-/m1/s1
InChIKey
DPPYJZPUMHOJFQ-IASQADCASA-O
Compound name
2-[hydroxy-[(2R)-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-3-pentadecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

740.523 Da
Monoisotopic Mass

11.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 741.53028 276.7
[M+Na]+ 763.51222 280.0
[M+NH4]+ 758.55682 253.2
[M+K]+ 779.48616 286.6
[M-H]- 739.51572 271.6
[M+Na-2H]- 761.49767 265.7
[M]+ 740.52245 277.3
[M]- 740.52355 277.3
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.