CID 53481744

Pc(o-20:1(11z)/20:4(8z,11z,14z,17z))

Structural Information

Molecular Formula
C48H89NO7P
SMILES
CCCCCCCC/C=C\CCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
InChI
InChI=1S/C48H88NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-43-53-45-47(46-55-57(51,52)54-44-42-49(3,4)5)56-48(50)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,27,29,33,35,47H,6-14,16,18-19,24-26,28,30-32,34,36-46H2,1-5H3/p+1/b17-15-,22-20-,23-21-,29-27-,35-33-/t47-/m1/s1
InChIKey
UNAQSIZPRIMCTB-QXUJVPJQSA-O
Compound name
2-[hydroxy-[(2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-[(Z)-icos-11-enoxy]propoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

822.6377 Da
Monoisotopic Mass

14.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 823.64498 297.0
[M+Na]+ 845.62692 298.8
[M+NH4]+ 840.67152 271.6
[M+K]+ 861.60086 304.7
[M-H]- 821.63042 290.9
[M+Na-2H]- 843.61237 283.6
[M]+ 822.63715 296.7
[M]- 822.63825 296.7
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.