CID 467473

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

Structural Information

Molecular Formula
C8H10FN3O3Se
SMILES
C1[C@@H](O[C@@H]([Se]1)CO)N2C=C(C(=NC2=O)N)F
InChI
InChI=1S/C8H10FN3O3Se/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6+/m1/s1
InChIKey
DTELDBUFGPSBQS-RITPCOANSA-N
Compound name
4-amino-5-fluoro-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxaselenolan-5-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

294.98715 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.99443 159.1
[M+Na]+ 317.97637 167.8
[M-H]- 293.97987 161.0
[M+NH4]+ 313.02097 173.4
[M+K]+ 333.95031 165.2
[M+H-H2O]+ 277.98441 150.0
[M+HCOO]- 339.98535 177.4
[M+CH3COO]- 354.00100 190.1
[M+Na-2H]- 315.96182 160.2
[M]+ 294.98660 156.5
[M]- 294.98770 156.5
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.