CID 131820108

Pe-nme(14:0/22:4(7z,10z,13z,16z))

Structural Information

Molecular Formula
C42H76NO8P
SMILES
CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
InChI
InChI=1S/C42H76NO8P/c1-4-6-8-10-12-14-16-17-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43-3)38-48-41(44)34-32-30-28-26-24-15-13-11-9-7-5-2/h12,14,17-18,20-21,23,25,40,43H,4-11,13,15-16,19,22,24,26-39H2,1-3H3,(H,46,47)/b14-12-,18-17-,21-20-,25-23-
InChIKey
FAXQZWVYZWTJMU-XRHYJLGASA-N
Compound name
[1-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-3-tetradecanoyloxypropan-2-yl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

753.5309 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 754.53818 284.4
[M+Na]+ 776.52012 288.7
[M-H]- 752.52362 277.3
[M+NH4]+ 771.56472 290.7
[M+K]+ 792.49406 290.1
[M+H-H2O]+ 736.52816 274.7
[M+HCOO]- 798.52910 286.7
[M+CH3COO]- 812.54475 289.2
[M+Na-2H]- 774.50557 263.6
[M]+ 753.53035 281.3
[M]- 753.53145 281.3
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

No patent data available for this compound.