CID 91666395

N-icosanoyl-1-oleoyl-sn-glycero-3-phosphoethanolamine(1-)

Structural Information

Molecular Formula
C43H84NO8P
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)NCCOP(=O)(O)OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)O
InChI
InChI=1S/C43H84NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(46)44-37-38-51-53(48,49)52-40-41(45)39-50-43(47)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h18,21,41,45H,3-17,19-20,22-40H2,1-2H3,(H,44,46)(H,48,49)/b21-18-/t41-/m1/s1
InChIKey
FPTSLKCBYZXNAK-JHWHEROUSA-N
Compound name
[(2R)-2-hydroxy-3-[hydroxy-[2-(icosanoylamino)ethoxy]phosphoryl]oxypropyl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

773.59344 Da
Monoisotopic Mass

14.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 774.60072 290.7
[M+Na]+ 796.58266 293.5
[M+NH4]+ 791.62726 295.0
[M+K]+ 812.55660 294.3
[M-H]- 772.58616 279.9
[M+Na-2H]- 794.56811 289.0
[M]+ 773.59289 289.1
[M]- 773.59399 289.1
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.