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]+ 297.045916 161.3
[M+Na]+ 319.027858 173.2
[M-H]- 295.031364 164.0
[M+NH4]+ 314.072463 174.9
[M+K]+ 335.001798 164.8
[M+H-H2O]+ 279.035900 154.8
[M+HCOO]- 341.036841 171.4
[M+CH3COO]- 355.052491 195.4
[M+Na-2H]- 317.013306 162.0
[M]+ 296.03809142 164.9
[M]- 296.03918858 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.