CID 482479

1-(2-deoxy-2-fluoro-beta-l-arabinofuranosyl)-5-(trifluoromethyl)uracil

Structural Information

Molecular Formula
C10H10F4N2O5
SMILES
C1=C(C(=O)NC(=O)N1[C@@H]2[C@@H]([C@H]([C@@H](O2)CO)O)F)C(F)(F)F
InChI
InChI=1S/C10H10F4N2O5/c11-5-6(18)4(2-17)21-8(5)16-1-3(10(12,13)14)7(19)15-9(16)20/h1,4-6,8,17-18H,2H2,(H,15,19,20)/t4-,5+,6-,8-/m0/s1
InChIKey
CYCXYYQOQWCVSL-GCJQMDKQSA-N
Compound name
1-[(2S,3R,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.05258 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.05986 161.3
[M+Na]+ 337.04180 172.2
[M-H]- 313.04530 158.4
[M+NH4]+ 332.08640 172.2
[M+K]+ 353.01574 168.3
[M+H-H2O]+ 297.04984 151.9
[M+HCOO]- 359.05078 172.1
[M+CH3COO]- 373.06643 196.4
[M+Na-2H]- 335.02725 161.0
[M]+ 314.05203 156.0
[M]- 314.05313 156.0
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.