CID 53480832

Pc(p-18:1(9z)/22:2(13z,16z))

Structural Information

Molecular Formula
C48H91NO7P
SMILES
CCCCCCCC/C=C\CCCCCC/C=C\OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC
InChI
InChI=1S/C48H90NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,40,43,47H,6-13,15,17-19,24-39,41-42,44-46H2,1-5H3/p+1/b16-14-,22-20-,23-21-,43-40-/t47-/m1/s1
InChIKey
SKUXUTQFIVWLNQ-DHAWJESTSA-O
Compound name
2-[[(2R)-2-[(13Z,16Z)-docosa-13,16-dienoyl]oxy-3-[(1Z,9Z)-octadeca-1,9-dienoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

824.6533 Da
Monoisotopic Mass

15.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 825.66058 299.1
[M+Na]+ 847.64252 300.6
[M+NH4]+ 842.68712 273.6
[M+K]+ 863.61646 306.0
[M-H]- 823.64602 292.8
[M+Na-2H]- 845.62797 285.3
[M]+ 824.65275 298.5
[M]- 824.65385 298.5
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