CID 131820142

Pe-nme(15:0/20:3(8z,11z,14z))

Structural Information

Molecular Formula
C41H76NO8P
SMILES
CCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
InChI
InChI=1S/C41H76NO8P/c1-4-6-8-10-12-14-16-18-19-20-21-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42-3)37-47-40(43)33-31-29-27-25-23-17-15-13-11-9-7-5-2/h12,14,18-19,21-22,39,42H,4-11,13,15-17,20,23-38H2,1-3H3,(H,45,46)/b14-12-,19-18-,22-21-
InChIKey
MLFMFPZFBBPZET-SPWRLXACSA-N
Compound name
[1-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-3-pentadecanoyloxypropan-2-yl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

741.5309 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 742.53818 282.6
[M+Na]+ 764.52012 286.4
[M+NH4]+ 759.56472 287.6
[M+K]+ 780.49406 286.6
[M-H]- 740.52362 273.7
[M+Na-2H]- 762.50557 282.2
[M]+ 741.53035 281.7
[M]- 741.53145 281.7
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.