CID 490039

1-[(2s,3s,4s,5s)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C10H11F3N2O6
SMILES
C1=C(C(=O)NC(=O)N1[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O)C(F)(F)F
InChI
InChI=1S/C10H11F3N2O6/c11-10(12,13)3-1-15(9(20)14-7(3)19)8-6(18)5(17)4(2-16)21-8/h1,4-6,8,16-18H,2H2,(H,14,19,20)/t4-,5+,6-,8-/m0/s1
InChIKey
UEJHQHNFRZXWRD-GCJQMDKQSA-N
Compound name
1-[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

312.05692 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.06420 161.7
[M+Na]+ 335.04614 171.8
[M-H]- 311.04964 158.7
[M+NH4]+ 330.09074 171.9
[M+K]+ 351.02008 168.2
[M+H-H2O]+ 295.05418 153.2
[M+HCOO]- 357.05512 172.2
[M+CH3COO]- 371.07077 193.9
[M+Na-2H]- 333.03159 161.7
[M]+ 312.05637 157.2
[M]- 312.05747 157.2
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.