CID 456974

405238-92-8

Structural Information

Molecular Formula
C9H9F2N3O3
SMILES
C1=C([C@H](O[C@@H]1CO)N2C=C(C(=NC2=O)N)F)F
InChI
InChI=1S/C9H9F2N3O3/c10-5-1-4(3-15)17-8(5)14-2-6(11)7(12)13-9(14)16/h1-2,4,8,15H,3H2,(H2,12,13,16)/t4-,8-/m0/s1
InChIKey
RMFWGZMHCNHZMG-NVNXEXLPSA-N
Compound name
4-amino-5-fluoro-1-[(2S,5S)-3-fluoro-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

19
Patents

245.0612 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.06848 148.4
[M+Na]+ 268.05042 159.6
[M-H]- 244.05392 150.2
[M+NH4]+ 263.09502 163.0
[M+K]+ 284.02436 156.6
[M+H-H2O]+ 228.05846 139.3
[M+HCOO]- 290.05940 167.7
[M+CH3COO]- 304.07505 191.5
[M+Na-2H]- 266.03587 150.4
[M]+ 245.06065 146.6
[M]- 245.06175 146.6
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.