CID 511986

((2r,4s,5r)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-((e)-pentafluoro-propenyl)-1h-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C12H11F5N2O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C(=C(C(F)(F)F)F)F)CO)O
InChI
InChI=1S/C12H11F5N2O5/c13-8(9(14)12(15,16)17)4-2-19(11(23)18-10(4)22)7-1-5(21)6(3-20)24-7/h2,5-7,20-21H,1,3H2,(H,18,22,23)/t5-,6+,7+/m0/s1
InChIKey
HWJSNNMYASKIHY-RRKCRQDMSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(1,2,3,3,3-pentafluoroprop-1-enyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.0588 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.06608 170.8
[M+Na]+ 381.04802 179.8
[M-H]- 357.05152 166.1
[M+NH4]+ 376.09262 179.4
[M+K]+ 397.02196 175.6
[M+H-H2O]+ 341.05606 160.3
[M+HCOO]- 403.05700 178.2
[M+CH3COO]- 417.07265 204.3
[M+Na-2H]- 379.03347 167.5
[M]+ 358.05825 162.7
[M]- 358.05935 162.7
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.