CID 9575005

5-fluoro-1-(4-hydroxyimino-5-hydroxymethyltetrahydro-furan-2-yl)-1h-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C9H10FN3O5
SMILES
C\1[C@@H](O[C@@H](/C1=N\O)CO)N2C=C(C(=O)NC2=O)F
InChI
InChI=1S/C9H10FN3O5/c10-4-2-13(9(16)11-8(4)15)7-1-5(12-17)6(3-14)18-7/h2,6-7,14,17H,1,3H2,(H,11,15,16)/b12-5-/t6-,7-/m1/s1
InChIKey
OEDZUMFGTFXRJS-AFISDSLOSA-N
Compound name
5-fluoro-1-[(2R,4Z,5S)-4-hydroxyimino-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

259.06046 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.06774 151.0
[M+Na]+ 282.04968 160.9
[M-H]- 258.05318 153.0
[M+NH4]+ 277.09428 164.3
[M+K]+ 298.02362 158.0
[M+H-H2O]+ 242.05772 142.9
[M+HCOO]- 304.05866 169.8
[M+CH3COO]- 318.07431 190.0
[M+Na-2H]- 280.03513 153.4
[M]+ 259.05991 149.4
[M]- 259.06101 149.4
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.