CID 3010093

Chembl287845

Structural Information

Molecular Formula
C8H12FN3O4
SMILES
C1=C(C(=NC(=O)N1COC(CO)CO)N)F
InChI
InChI=1S/C8H12FN3O4/c9-6-1-12(8(15)11-7(6)10)4-16-5(2-13)3-14/h1,5,13-14H,2-4H2,(H2,10,11,15)
InChIKey
IWVFFRUDPUZDMN-UHFFFAOYSA-N
Compound name
4-amino-1-(1,3-dihydroxypropan-2-yloxymethyl)-5-fluoropyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

233.08118 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.08846 147.1
[M+Na]+ 256.07040 155.7
[M-H]- 232.07390 144.3
[M+NH4]+ 251.11500 160.7
[M+K]+ 272.04434 153.1
[M+H-H2O]+ 216.07844 138.9
[M+HCOO]- 278.07938 165.7
[M+CH3COO]- 292.09503 187.9
[M+Na-2H]- 254.05585 150.2
[M]+ 233.08063 146.6
[M]- 233.08173 146.6
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.