CID 10891803

6-(5-chloro-2-methyl-phenyl)sulfanyl-5-ethyl-1h-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C13H13ClN2O2S
SMILES
CCC1=C(NC(=O)NC1=O)SC2=C(C=CC(=C2)Cl)C
InChI
InChI=1S/C13H13ClN2O2S/c1-3-9-11(17)15-13(18)16-12(9)19-10-6-8(14)5-4-7(10)2/h4-6H,3H2,1-2H3,(H2,15,16,17,18)
InChIKey
YXCHDMJMMZVWCU-UHFFFAOYSA-N
Compound name
6-(5-chloro-2-methylphenyl)sulfanyl-5-ethyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.03864 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.04592 161.3
[M+Na]+ 319.02786 173.2
[M-H]- 295.03136 164.0
[M+NH4]+ 314.07246 174.9
[M+K]+ 335.00180 164.8
[M+H-H2O]+ 279.03590 154.8
[M+HCOO]- 341.03684 171.4
[M+CH3COO]- 355.05249 195.4
[M+Na-2H]- 317.01331 162.0
[M]+ 296.03809 164.9
[M]- 296.03919 164.9
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.