CID 469766

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

Structural Information

Molecular Formula
C9H12FN3O4
SMILES
C1C(COC(O1)CO)N2C=C(C(=NC2=O)N)F
InChI
InChI=1S/C9H12FN3O4/c10-6-1-13(9(15)12-8(6)11)5-3-16-7(2-14)17-4-5/h1,5,7,14H,2-4H2,(H2,11,12,15)
InChIKey
QIHNBIOOXCBOAT-UHFFFAOYSA-N
Compound name
4-amino-5-fluoro-1-[2-(hydroxymethyl)-1,3-dioxan-5-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.08118 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.08846 154.0
[M+Na]+ 268.07040 162.4
[M-H]- 244.07390 156.6
[M+NH4]+ 263.11500 164.9
[M+K]+ 284.04434 161.4
[M+H-H2O]+ 228.07844 144.5
[M+HCOO]- 290.07938 169.9
[M+CH3COO]- 304.09503 191.1
[M+Na-2H]- 266.05585 158.2
[M]+ 245.08063 151.3
[M]- 245.08173 151.3
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.