CID 131820145

Pe-nme(15:0/20:5(5z,8z,11z,14z,17z))

Structural Information

Molecular Formula
C41H72NO8P
SMILES
CCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
InChI
InChI=1S/C41H72NO8P/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/h6,8,12,14,18-19,21-22,26,28,39,42H,4-5,7,9-11,13,15-17,20,23-25,27,29-38H2,1-3H3,(H,45,46)/b8-6-,14-12-,19-18-,22-21-,28-26-
InChIKey
PLINIVYMNUIBRB-AGHJZLGQSA-N
Compound name
[1-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-3-pentadecanoyloxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

737.4996 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 738.50688 279.4
[M+Na]+ 760.48882 284.5
[M-H]- 736.49232 273.5
[M+NH4]+ 755.53342 286.1
[M+K]+ 776.46276 285.0
[M+H-H2O]+ 720.49686 269.8
[M+HCOO]- 782.49780 282.9
[M+CH3COO]- 796.51345 285.3
[M+Na-2H]- 758.47427 259.5
[M]+ 737.49905 276.0
[M]- 737.50015 276.0
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.