CID 131821033

Pe-nme2(15:0/18:4(6z,9z,12z,15z))

Structural Information

Molecular Formula
C40H72NO8P
SMILES
CCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN(C)C)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
InChI
InChI=1S/C40H72NO8P/c1-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41(3)4)36-46-39(42)32-30-28-26-24-22-18-16-14-12-10-8-6-2/h7,9,13,15,19-20,23,25,38H,5-6,8,10-12,14,16-18,21-22,24,26-37H2,1-4H3,(H,44,45)/b9-7-,15-13-,20-19-,25-23-
InChIKey
IHXXDBIOOKIJMU-OCQKAKGJSA-N
Compound name
[1-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-pentadecanoyloxypropan-2-yl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

725.4996 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 726.50688 279.7
[M+Na]+ 748.48882 283.8
[M+NH4]+ 743.53342 286.2
[M+K]+ 764.46276 283.9
[M-H]- 724.49232 272.8
[M+Na-2H]- 746.47427 280.3
[M]+ 725.49905 279.6
[M]- 725.50015 279.6
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.