CID 6441169

T 506

Structural Information

Molecular Formula
C32H56FN3O9P
SMILES
CCCCCCCC/C=C/CCCCCCCC(=O)OC1CC(OC1COP(=O)(O)OCC[N+](C)(C)C)N2C=C(C(=O)NC2=O)F
InChI
InChI=1S/C32H55FN3O9P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-30(37)45-27-23-29(35-24-26(33)31(38)34-32(35)39)44-28(27)25-43-46(40,41)42-22-21-36(2,3)4/h12-13,24,27-29H,5-11,14-23,25H2,1-4H3,(H-,34,38,39,40,41)/p+1/b13-12+
InChIKey
JLGWAGKPIWGUEH-OUKQBFOZSA-O
Compound name
2-[[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-[(E)-octadec-9-enoyl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

676.37384 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 677.38112 241.8
[M+Na]+ 699.36306 252.9
[M-H]- 675.36656 244.0
[M+NH4]+ 694.40766 250.5
[M+K]+ 715.33700 243.1
[M+H-H2O]+ 659.37110 232.0
[M+HCOO]- 721.37204 269.7
[M+CH3COO]- 735.38769 266.4
[M+Na-2H]- 697.34851 226.5
[M]+ 676.37329 239.7
[M]- 676.37439 239.7
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.