CID 3064715

Brn 5599149

Structural Information

Molecular Formula
C11H9BrN2O5S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=O)NC2=O)Br
InChI
InChI=1S/C11H9BrN2O5S/c1-19-7-2-4-8(5-3-7)20(17,18)14-6-9(12)10(15)13-11(14)16/h2-6H,1H3,(H,13,15,16)
InChIKey
WJEVRPJYCCZTQF-UHFFFAOYSA-N
Compound name
5-bromo-1-(4-methoxyphenyl)sulfonylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.94156 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.94884 155.2
[M+Na]+ 382.93078 169.5
[M-H]- 358.93428 162.0
[M+NH4]+ 377.97538 169.4
[M+K]+ 398.90472 156.7
[M+H-H2O]+ 342.93882 154.3
[M+HCOO]- 404.93976 169.5
[M+CH3COO]- 418.95541 201.6
[M+Na-2H]- 380.91623 161.8
[M]+ 359.94101 178.2
[M]- 359.94211 178.2
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.