CID 489494

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

Structural Information

Molecular Formula
C9H12FN3O4
SMILES
C[C@]1(OC[C@@H](O1)N2C=C(C(=NC2=O)N)F)CO
InChI
InChI=1S/C9H12FN3O4/c1-9(4-14)16-3-6(17-9)13-2-5(10)7(11)12-8(13)15/h2,6,14H,3-4H2,1H3,(H2,11,12,15)/t6-,9-/m1/s1
InChIKey
PDQIPKFCNQMZNL-HZGVNTEJSA-N
Compound name
4-amino-5-fluoro-1-[(2R,4R)-2-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

245.08118 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.08846 149.3
[M+Na]+ 268.07040 159.5
[M-H]- 244.07390 152.7
[M+NH4]+ 263.11500 164.3
[M+K]+ 284.04434 158.8
[M+H-H2O]+ 228.07844 141.8
[M+HCOO]- 290.07938 167.5
[M+CH3COO]- 304.09503 190.0
[M+Na-2H]- 266.05585 153.7
[M]+ 245.08063 149.2
[M]- 245.08173 149.2
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.