CID 11807607

5-ethyl-6-(4-fluorophenyl)sulfanyl-1h-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C12H11FN2O2S
SMILES
CCC1=C(NC(=O)NC1=O)SC2=CC=C(C=C2)F
InChI
InChI=1S/C12H11FN2O2S/c1-2-9-10(16)14-12(17)15-11(9)18-8-5-3-7(13)4-6-8/h3-6H,2H2,1H3,(H2,14,15,16,17)
InChIKey
HBJDDVICCGSOPI-UHFFFAOYSA-N
Compound name
5-ethyl-6-(4-fluorophenyl)sulfanyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.05252 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.05980 154.6
[M+Na]+ 289.04174 165.6
[M-H]- 265.04524 155.7
[M+NH4]+ 284.08634 168.2
[M+K]+ 305.01568 158.2
[M+H-H2O]+ 249.04978 146.3
[M+HCOO]- 311.05072 168.6
[M+CH3COO]- 325.06637 190.1
[M+Na-2H]- 287.02719 156.3
[M]+ 266.05197 154.4
[M]- 266.05307 154.4
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.