CID 454316

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

Structural Information

Molecular Formula
C8H10FN3O4
SMILES
C1[C@@H](O[C@@H](O1)N2C=C(C(=NC2=O)N)F)CO
InChI
InChI=1S/C8H10FN3O4/c9-5-1-12(7(14)11-6(5)10)8-15-3-4(2-13)16-8/h1,4,8,13H,2-3H2,(H2,10,11,14)/t4-,8+/m0/s1
InChIKey
VYTQHKAWLSZOFO-RNHFCUEFSA-N
Compound name
4-amino-5-fluoro-1-[(2R,4S)-4-(hydroxymethyl)-1,3-dioxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

231.06554 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.07282 146.8
[M+Na]+ 254.05476 156.4
[M-H]- 230.05826 150.0
[M+NH4]+ 249.09936 160.2
[M+K]+ 270.02870 155.6
[M+H-H2O]+ 214.06280 138.5
[M+HCOO]- 276.06374 165.3
[M+CH3COO]- 290.07939 187.4
[M+Na-2H]- 252.04021 150.2
[M]+ 231.06499 145.9
[M]- 231.06609 145.9
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.