CID 5313544

Pc(18:4(9e,11e,13e,15e)/18:4(9e,11e,13e,15e))

Structural Information

Molecular Formula
C44H73NO8P
SMILES
CC/C=C/C=C/C=C/C=C/CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C/C=C/C=C/C=C/CC
InChI
InChI=1S/C44H72NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8-23,42H,6-7,24-41H2,1-5H3/p+1/b10-8+,11-9+,14-12+,15-13+,18-16+,19-17+,22-20+,23-21+/t42-/m1/s1
InChIKey
DDKZSATYMHCURC-SWGJBHSASA-O
Compound name
2-[[(2R)-2,3-bis[[(9E,11E,13E,15E)-octadeca-9,11,13,15-tetraenoyl]oxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

774.5074 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 775.51468 280.2
[M+Na]+ 797.49662 285.9
[M-H]- 773.50012 279.0
[M+NH4]+ 792.54122 290.7
[M+K]+ 813.47056 286.1
[M+H-H2O]+ 757.50466 265.5
[M+HCOO]- 819.50560 290.3
[M+CH3COO]- 833.52125 282.9
[M+Na-2H]- 795.48207 261.7
[M]+ 774.50685 277.3
[M]- 774.50795 277.3
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

patents stripe