CID 131820161

Pe-nme(16:0/20:0)

Structural Information

Molecular Formula
C42H84NO8P
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCNC
InChI
InChI=1S/C42H84NO8P/c1-4-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43-3)38-48-41(44)34-32-30-28-26-24-22-17-15-13-11-9-7-5-2/h40,43H,4-39H2,1-3H3,(H,46,47)
InChIKey
QEOXPMRAGLFGTB-UHFFFAOYSA-N
Compound name
[1-hexadecanoyloxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropan-2-yl] icosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

761.59344 Da
Monoisotopic Mass

12.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 762.60072 292.0
[M+Na]+ 784.58266 294.3
[M+NH4]+ 779.62726 297.1
[M+K]+ 800.55660 295.1
[M-H]- 760.58616 280.4
[M+Na-2H]- 782.56811 290.0
[M]+ 761.59289 290.2
[M]- 761.59399 290.2
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.