CID 317179

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

Structural Information

Molecular Formula
C7H4N2O3S
SMILES
C1=COC(=C1)C2=NC(=O)NC(=O)S2
InChI
InChI=1S/C7H4N2O3S/c10-6-8-5(13-7(11)9-6)4-2-1-3-12-4/h1-3H,(H,9,10,11)
InChIKey
QBLTVSLHHZFXGR-UHFFFAOYSA-N
Compound name
6-(furan-2-yl)-1,3,5-thiadiazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

195.99426 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.00154 134.7
[M+Na]+ 218.98348 146.9
[M-H]- 194.98698 139.8
[M+NH4]+ 214.02808 152.2
[M+K]+ 234.95742 144.1
[M+H-H2O]+ 178.99152 128.4
[M+HCOO]- 240.99246 153.4
[M+CH3COO]- 255.00811 149.1
[M+Na-2H]- 216.96893 139.3
[M]+ 195.99371 137.9
[M]- 195.99481 137.9
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

No patent data available for this compound.