CID 478079

284681-89-6

Structural Information

Molecular Formula
C14H16N2O2S
SMILES
CCC(C)OC1=NC(=CC(=O)N1)SC2=CC=CC=C2
InChI
InChI=1S/C14H16N2O2S/c1-3-10(2)18-14-15-12(17)9-13(16-14)19-11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,15,16,17)
InChIKey
BBSORLBTHVPUAM-UHFFFAOYSA-N
Compound name
2-butan-2-yloxy-4-phenylsulfanyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

276.09326 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.10054 161.0
[M+Na]+ 299.08248 169.2
[M-H]- 275.08598 163.9
[M+NH4]+ 294.12708 174.3
[M+K]+ 315.05642 163.9
[M+H-H2O]+ 259.09052 152.6
[M+HCOO]- 321.09146 175.8
[M+CH3COO]- 335.10711 195.0
[M+Na-2H]- 297.06793 163.1
[M]+ 276.09271 163.7
[M]- 276.09381 163.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.