CID 52922894

Pc(18:4(6z,9z,12z,15z)/16:1(9z))

Structural Information

Molecular Formula
C42H75NO8P
SMILES
CCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C42H74NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-21,24,26,40H,6-7,9,11-13,15,18,22-23,25,27-39H2,1-5H3/p+1/b10-8-,16-14-,19-17-,21-20-,26-24-/t40-/m1/s1
InChIKey
HABFSWQTJVYUQT-GJPRVVQUSA-O
Compound name
2-[[(2R)-2-[(Z)-hexadec-9-enoyl]oxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2
Patents

752.523 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 753.530276 279.0
[M+Na]+ 775.512218 283.2
[M-H]- 751.515724 276.1
[M+NH4]+ 770.556823 288.6
[M+K]+ 791.486158 284.1
[M+H-H2O]+ 735.520260 264.3
[M+HCOO]- 797.521201 287.5
[M+CH3COO]- 811.536851 281.8
[M+Na-2H]- 773.497666 259.9
[M]+ 752.52245142 276.6
[M]- 752.52354858 276.6
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.