CID 52922315

Pc(15:0/18:3(6z,9z,12z))

Structural Information

Molecular Formula
C41H77NO8P
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\CCCCC
InChI
InChI=1S/C41H76NO8P/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/h14,16,20-21,24,26,39H,6-13,15,17-19,22-23,25,27-38H2,1-5H3/p+1/b16-14-,21-20-,26-24-/t39-/m1/s1
InChIKey
VZPPRGZNTVUBLP-UKNPSHDRSA-O
Compound name
2-[hydroxy-[(2R)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-3-pentadecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

742.5387 Da
Monoisotopic Mass

11.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 743.54598 278.8
[M+Na]+ 765.52792 281.8
[M+NH4]+ 760.57252 255.4
[M+K]+ 781.50186 288.0
[M-H]- 741.53142 273.5
[M+Na-2H]- 763.51337 267.5
[M]+ 742.53815 279.3
[M]- 742.53925 279.3
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.