CID 451615

125362-05-2

Structural Information

Molecular Formula
C9H10FN3O3
SMILES
C1=CN(C(=O)N=C1N)[C@H]2C=C([C@H](O2)CO)F
InChI
InChI=1S/C9H10FN3O3/c10-5-3-8(16-6(5)4-14)13-2-1-7(11)12-9(13)15/h1-3,6,8,14H,4H2,(H2,11,12,15)/t6-,8-/m1/s1
InChIKey
MEVXHGRLPDLNHY-HTRCEHHLSA-N
Compound name
4-amino-1-[(2R,5R)-4-fluoro-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

227.07062 Da
Monoisotopic Mass

-1.8
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

literature stripe

Patent stripe

patents stripe