CID 503165

4-amino-1-[(2r)-3-fluoro-4-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one

Structural Information

Molecular Formula
C9H10FN3O3
SMILES
C1C(=C([C@@H](O1)N2C=CC(=NC2=O)N)F)CO
InChI
InChI=1S/C9H10FN3O3/c10-7-5(3-14)4-16-8(7)13-2-1-6(11)12-9(13)15/h1-2,8,14H,3-4H2,(H2,11,12,15)/t8-/m1/s1
InChIKey
VWDXIIOLAUVGRH-MRVPVSSYSA-N
Compound name
4-amino-1-[(2R)-3-fluoro-4-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.07062 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.07790 145.5
[M+Na]+ 250.05984 155.8
[M-H]- 226.06334 148.3
[M+NH4]+ 245.10444 160.6
[M+K]+ 266.03378 153.2
[M+H-H2O]+ 210.06788 137.1
[M+HCOO]- 272.06882 165.9
[M+CH3COO]- 286.08447 187.4
[M+Na-2H]- 248.04529 148.8
[M]+ 227.07007 144.4
[M]- 227.07117 144.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.