CID 131820760

Pe-nme(22:5(7z,10z,13z,16z,19z)/15:0)

Structural Information

Molecular Formula
C43H76NO8P
SMILES
CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)(O)OCCNC
InChI
InChI=1S/C43H76NO8P/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-26-27-29-31-33-35-42(45)49-39-41(40-51-53(47,48)50-38-37-44-3)52-43(46)36-34-32-30-28-25-17-15-13-11-9-7-5-2/h6,8,12,14,18-19,21-22,24,26,41,44H,4-5,7,9-11,13,15-17,20,23,25,27-40H2,1-3H3,(H,47,48)/b8-6-,14-12-,19-18-,22-21-,26-24-
InChIKey
QXRPNYDCGTUJHL-HJGAGWBHSA-N
Compound name
[3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-2-pentadecanoyloxypropyl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

765.5309 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 766.53818 285.1
[M+Na]+ 788.52012 289.6
[M+NH4]+ 783.56472 290.1
[M+K]+ 804.49406 290.0
[M-H]- 764.52362 277.1
[M+Na-2H]- 786.50557 284.9
[M]+ 765.53035 284.7
[M]- 765.53145 284.7
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.