CID 131821069

Pe-nme2(16:0/24:0)

Structural Information

Molecular Formula
C47H94NO8P
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN(C)C
InChI
InChI=1S/C47H94NO8P/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48(3)4)43-53-46(49)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2/h45H,5-44H2,1-4H3,(H,51,52)
InChIKey
RDDDGRQARMZBQG-UHFFFAOYSA-N
Compound name
[1-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] tetracosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

831.6717 Da
Monoisotopic Mass

15.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 832.67898 310.9
[M+Na]+ 854.66092 312.5
[M+NH4]+ 849.70552 317.3
[M+K]+ 870.63486 314.4
[M-H]- 830.66442 298.6
[M+Na-2H]- 852.64637 307.6
[M]+ 831.67115 309.2
[M]- 831.67225 309.2
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.