CID 52924718

Pe(22:0/15:0)

Structural Information

Molecular Formula
C42H84NO8P
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCC
InChI
InChI=1S/C42H84NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43)51-42(45)35-33-31-29-27-24-16-14-12-10-8-6-4-2/h40H,3-39,43H2,1-2H3,(H,46,47)/t40-/m1/s1
InChIKey
OHUXILVCUSQMMW-RRHRGVEJSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-pentadecanoyloxypropyl] docosanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

761.59344 Da
Monoisotopic Mass

13.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 762.60072 287.4
[M+Na]+ 784.58266 289.2
[M-H]- 760.58616 276.6
[M+NH4]+ 779.62726 291.5
[M+K]+ 800.55660 292.1
[M+H-H2O]+ 744.59070 277.0
[M+HCOO]- 806.59164 285.6
[M+CH3COO]- 820.60729 293.5
[M+Na-2H]- 782.56811 264.7
[M]+ 761.59289 284.2
[M]- 761.59399 284.2
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.