CID 52922552

Pc(17:1(9z)/18:4(6z,9z,12z,15z))

Structural Information

Molecular Formula
C43H77NO8P
SMILES
CCCCCCC/C=C\CCCCCCCC(=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/C43H76NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44(3,4)5)39-49-42(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,19-22,26,28,41H,6-7,9,11-13,15,17-18,23-25,27,29-40H2,1-5H3/p+1/b10-8-,16-14-,21-19-,22-20-,28-26-/t41-/m1/s1
InChIKey
ZEEIBQVAOBNQRF-NONVNBHHSA-O
Compound name
2-[[(2R)-3-[(Z)-heptadec-9-enoyl]oxy-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

766.5387 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 767.545976 282.2
[M+Na]+ 789.527918 286.2
[M-H]- 765.531424 278.9
[M+NH4]+ 784.572523 291.7
[M+K]+ 805.501858 287.5
[M+H-H2O]+ 749.535960 267.4
[M+HCOO]- 811.536901 290.3
[M+CH3COO]- 825.552551 284.5
[M+Na-2H]- 787.513366 262.6
[M]+ 766.53815142 279.8
[M]- 766.53924858 279.8
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.