CID 131820152

Pe-nme(15:0/24:0)

Structural Information

Molecular Formula
C45H90NO8P
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OCCNC
InChI
InChI=1S/C45H90NO8P/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-45(48)54-43(42-53-55(49,50)52-40-39-46-3)41-51-44(47)37-35-33-31-29-27-17-15-13-11-9-7-5-2/h43,46H,4-42H2,1-3H3,(H,49,50)
InChIKey
CYIBKFAPULSYDY-UHFFFAOYSA-N
Compound name
[1-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-3-pentadecanoyloxypropan-2-yl] tetracosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

803.6404 Da
Monoisotopic Mass

14.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 804.64768 301.6
[M+Na]+ 826.62962 303.6
[M+NH4]+ 821.67422 306.5
[M+K]+ 842.60356 304.9
[M-H]- 802.63312 289.0
[M+Na-2H]- 824.61507 298.6
[M]+ 803.63985 299.6
[M]- 803.64095 299.6
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.