CID 317180

6-(1,3-benzodioxol-5-yl)-1,3,5-thiadiazine-2,4-dione

Structural Information

Molecular Formula
C10H6N2O4S
SMILES
C1OC2=C(O1)C=C(C=C2)C3=NC(=O)NC(=O)S3
InChI
InChI=1S/C10H6N2O4S/c13-9-11-8(17-10(14)12-9)5-1-2-6-7(3-5)16-4-15-6/h1-3H,4H2,(H,12,13,14)
InChIKey
WERPPWJTQANIHX-UHFFFAOYSA-N
Compound name
6-(1,3-benzodioxol-5-yl)-1,3,5-thiadiazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

250.00482 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.01210 148.0
[M+Na]+ 272.99404 160.2
[M-H]- 248.99754 154.5
[M+NH4]+ 268.03864 162.9
[M+K]+ 288.96798 158.0
[M+H-H2O]+ 233.00208 141.8
[M+HCOO]- 295.00302 163.6
[M+CH3COO]- 309.01867 161.5
[M+Na-2H]- 270.97949 153.2
[M]+ 250.00427 152.2
[M]- 250.00537 152.2
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.