CID 131821118

Pe-nme2(18:0/24:0)

Structural Information

Molecular Formula
C49H98NO8P
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN(C)C
InChI
InChI=1S/C49H98NO8P/c1-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-42-49(52)58-47(46-57-59(53,54)56-44-43-50(3)4)45-55-48(51)41-39-37-35-33-31-29-27-20-18-16-14-12-10-8-6-2/h47H,5-46H2,1-4H3,(H,53,54)
InChIKey
JQUQNFLBTJVYHO-UHFFFAOYSA-N
Compound name
[1-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-octadecanoyloxypropan-2-yl] tetracosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

859.703 Da
Monoisotopic Mass

16.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 860.71028 317.2
[M+Na]+ 882.69222 318.6
[M+NH4]+ 877.73682 323.6
[M+K]+ 898.66616 320.9
[M-H]- 858.69572 304.2
[M+Na-2H]- 880.67767 313.2
[M]+ 859.70245 315.4
[M]- 859.70355 315.4
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.