CID 495223

Nsc646085

Structural Information

Molecular Formula
C12H15F3N2O6
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)COCC(F)(F)F)CO)O
InChI
InChI=1S/C12H15F3N2O6/c13-12(14,15)5-22-4-6-2-17(11(21)16-10(6)20)9-1-7(19)8(3-18)23-9/h2,7-9,18-19H,1,3-5H2,(H,16,20,21)/t7-,8+,9+/m0/s1
InChIKey
ZDSMEJQUASEOOJ-DJLDLDEBSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(2,2,2-trifluoroethoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.08823 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.09551 169.6
[M+Na]+ 363.07745 178.4
[M-H]- 339.08095 167.2
[M+NH4]+ 358.12205 179.1
[M+K]+ 379.05139 175.2
[M+H-H2O]+ 323.08549 160.3
[M+HCOO]- 385.08643 181.0
[M+CH3COO]- 399.10208 200.5
[M+Na-2H]- 361.06290 169.8
[M]+ 340.08768 167.2
[M]- 340.08878 167.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.