CID 52923624

Pc(22:4(7z,10z,13z,16z)/16:1(9z))

Structural Information

Molecular Formula
C46H83NO8P
SMILES
CCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-26-19-17-15-13-11-9-7-2/h14,16-17,19-21,23-24,27-28,44H,6-13,15,18,22,25-26,29-43H2,1-5H3/p+1/b16-14-,19-17-,21-20-,24-23-,28-27-/t44-/m1/s1
InChIKey
STHWQCYHQJBDDB-SYONOARRSA-O
Compound name
2-[[(2R)-3-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]oxy-2-[(Z)-hexadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

808.58563 Da
Monoisotopic Mass

12.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 809.59291 290.1
[M+Na]+ 831.57485 292.7
[M+NH4]+ 826.61945 267.5
[M+K]+ 847.54879 299.3
[M-H]- 807.57835 284.8
[M+Na-2H]- 829.56030 277.8
[M]+ 808.58508 290.5
[M]- 808.58618 290.5
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

No patent data available for this compound.