CID 10492727

Schembl6086721

Structural Information

Molecular Formula
C14H16N2O2S
SMILES
CCC1=C(NC(=O)NC1=O)SC2=CC(=CC(=C2)C)C
InChI
InChI=1S/C14H16N2O2S/c1-4-11-12(17)15-14(18)16-13(11)19-10-6-8(2)5-9(3)7-10/h5-7H,4H2,1-3H3,(H2,15,16,17,18)
InChIKey
KNGPWBDWLKEHMI-UHFFFAOYSA-N
Compound name
6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

276.09326 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.10054 160.9
[M+Na]+ 299.08248 171.9
[M-H]- 275.08598 163.5
[M+NH4]+ 294.12708 174.5
[M+K]+ 315.05642 164.6
[M+H-H2O]+ 259.09052 153.5
[M+HCOO]- 321.09146 175.2
[M+CH3COO]- 335.10711 194.7
[M+Na-2H]- 297.06793 161.5
[M]+ 276.09271 162.9
[M]- 276.09381 162.9
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

patents stripe