CID 131821034

Pe-nme2(15:0/20:0)

Structural Information

Molecular Formula
C42H84NO8P
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OCCN(C)C
InChI
InChI=1S/C42H84NO8P/c1-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3)4)38-48-41(44)34-32-30-28-26-24-18-16-14-12-10-8-6-2/h40H,5-39H2,1-4H3,(H,46,47)
InChIKey
WJLYDEMSOXOEBI-UHFFFAOYSA-N
Compound name
[1-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-pentadecanoyloxypropan-2-yl] icosanoate
Related CIDs

2D Structure

compound 2d structure
2
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 294.8
[M+Na]+ 784.58266 296.9
[M+NH4]+ 779.62726 301.4
[M+K]+ 800.55660 297.9
[M-H]- 760.58616 284.2
[M+Na-2H]- 782.56811 293.1
[M]+ 761.59289 293.5
[M]- 761.59399 293.5
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.