CID 478072

284681-77-2

Structural Information

Molecular Formula
C14H16N2O4S
SMILES
CCC(C)OC1=CC(=O)NC(=N1)S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H16N2O4S/c1-3-10(2)20-13-9-12(17)15-14(16-13)21(18,19)11-7-5-4-6-8-11/h4-10H,3H2,1-2H3,(H,15,16,17)
InChIKey
VQNQBILSCBVYRO-UHFFFAOYSA-N
Compound name
2-(benzenesulfonyl)-4-butan-2-yloxy-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.08307 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.09035 168.0
[M+Na]+ 331.07229 176.5
[M-H]- 307.07579 171.2
[M+NH4]+ 326.11689 179.7
[M+K]+ 347.04623 171.8
[M+H-H2O]+ 291.08033 159.9
[M+HCOO]- 353.08127 181.9
[M+CH3COO]- 367.09692 198.2
[M+Na-2H]- 329.05774 171.2
[M]+ 308.08252 171.5
[M]- 308.08362 171.5
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.