CID 5276661

Chembl189491

Structural Information

Molecular Formula
C12H11FN2O2
SMILES
CC1=CN(C(=O)NC1=O)CC2=CC(=CC=C2)F
InChI
InChI=1S/C12H11FN2O2/c1-8-6-15(12(17)14-11(8)16)7-9-3-2-4-10(13)5-9/h2-6H,7H2,1H3,(H,14,16,17)
InChIKey
FAEWBTNEARLWTC-UHFFFAOYSA-N
Compound name
1-[(3-fluorophenyl)methyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

234.08046 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.08774 148.1
[M+Na]+ 257.06968 159.5
[M-H]- 233.07318 150.6
[M+NH4]+ 252.11428 163.1
[M+K]+ 273.04362 154.1
[M+H-H2O]+ 217.07772 139.2
[M+HCOO]- 279.07866 168.7
[M+CH3COO]- 293.09431 188.8
[M+Na-2H]- 255.05513 153.3
[M]+ 234.07991 147.6
[M]- 234.08101 147.6
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.