CID 473794

4-amino-1-[3,3-difluoro-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyrimidin-2-one

Structural Information

Molecular Formula
C10H13F2N3O4
SMILES
C1C(C(OC(C1(F)F)N2C=CC(=NC2=O)N)CO)O
InChI
InChI=1S/C10H13F2N3O4/c11-10(12)3-5(17)6(4-16)19-8(10)15-2-1-7(13)14-9(15)18/h1-2,5-6,8,16-17H,3-4H2,(H2,13,14,18)
InChIKey
MLGKDPHNUMIPIB-UHFFFAOYSA-N
Compound name
4-amino-1-[3,3-difluoro-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

277.0874 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.09468 159.0
[M+Na]+ 300.07662 168.3
[M-H]- 276.08012 158.8
[M+NH4]+ 295.12122 171.5
[M+K]+ 316.05056 165.5
[M+H-H2O]+ 260.08466 149.8
[M+HCOO]- 322.08560 172.9
[M+CH3COO]- 336.10125 195.2
[M+Na-2H]- 298.06207 161.8
[M]+ 277.08685 154.0
[M]- 277.08795 154.0
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.