CID 513237

1-[(2r,5s)-5-[(6,8-ditert-butyl-5-fluoro-2-oxo-4h-1,3,2$l^{5}-benzodioxaphosphinin-2-yl)oxymethyl]-2,5-dihydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C25H32FN2O7P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP3(=O)OCC4=C(O3)C(=CC(=C4F)C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C25H32FN2O7P/c1-14-11-28(23(30)27-22(14)29)19-9-8-15(34-19)12-32-36(31)33-13-16-20(26)17(24(2,3)4)10-18(21(16)35-36)25(5,6)7/h8-11,15,19H,12-13H2,1-7H3,(H,27,29,30)/t15-,19+,36?/m0/s1
InChIKey
OFXDQYWUBQYOOZ-HPOUCBOBSA-N
Compound name
1-[(2R,5S)-5-[(6,8-ditert-butyl-5-fluoro-2-oxo-4H-1,3,2lambda5-benzodioxaphosphinin-2-yl)oxymethyl]-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

522.1931 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.20038 228.4
[M+Na]+ 545.18232 236.7
[M-H]- 521.18582 235.6
[M+NH4]+ 540.22692 232.6
[M+K]+ 561.15626 237.0
[M+H-H2O]+ 505.19036 217.1
[M+HCOO]- 567.19130 241.3
[M+CH3COO]- 581.20695 245.5
[M+Na-2H]- 543.16777 226.5
[M]+ 522.19255 234.2
[M]- 522.19365 234.2
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.