CID 640845

6-chloro-3-ethylpyrimidine-2,4(1h,3h)-dione

Structural Information

Molecular Formula
C6H7ClN2O2
SMILES
CCN1C(=O)C=C(NC1=O)Cl
InChI
InChI=1S/C6H7ClN2O2/c1-2-9-5(10)3-4(7)8-6(9)11/h3H,2H2,1H3,(H,8,11)
InChIKey
CDQGLIMPENHTQH-UHFFFAOYSA-N
Compound name
6-chloro-3-ethyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

174.0196 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.02688 130.2
[M+Na]+ 197.00882 144.8
[M+NH4]+ 192.05342 137.4
[M+K]+ 212.98276 138.8
[M-H]- 173.01232 130.1
[M+Na-2H]- 194.99427 136.5
[M]+ 174.01905 132.4
[M]- 174.02015 132.4
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

patents stripe