CID 131821315

Pe-nme2(20:0/24:0)

Structural Information

Molecular Formula
C51H102NO8P
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN(C)C
InChI
InChI=1S/C51H102NO8P/c1-5-7-9-11-13-15-17-19-21-23-24-25-26-28-30-32-34-36-38-40-42-44-51(54)60-49(48-59-61(55,56)58-46-45-52(3)4)47-57-50(53)43-41-39-37-35-33-31-29-27-22-20-18-16-14-12-10-8-6-2/h49H,5-48H2,1-4H3,(H,55,56)
InChIKey
RVUBMEMMUFAHDG-UHFFFAOYSA-N
Compound name
[1-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-icosanoyloxypropan-2-yl] tetracosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

887.7343 Da
Monoisotopic Mass

17.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 888.74158 323.4
[M+Na]+ 910.72352 324.7
[M+NH4]+ 905.76812 329.7
[M+K]+ 926.69746 327.3
[M-H]- 886.72702 309.8
[M+Na-2H]- 908.70897 318.8
[M]+ 887.73375 321.5
[M]- 887.73485 321.5
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.