CID 317182

6-phenyl-1,3,5-thiadiazine-2,4-dione

Structural Information

Molecular Formula
C9H6N2O2S
SMILES
C1=CC=C(C=C1)C2=NC(=O)NC(=O)S2
InChI
InChI=1S/C9H6N2O2S/c12-8-10-7(14-9(13)11-8)6-4-2-1-3-5-6/h1-5H,(H,11,12,13)
InChIKey
PRUASRFCAJECMS-UHFFFAOYSA-N
Compound name
6-phenyl-1,3,5-thiadiazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

206.015 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.02228 138.9
[M+Na]+ 229.00422 150.0
[M-H]- 205.00772 142.7
[M+NH4]+ 224.04882 155.1
[M+K]+ 244.97816 144.7
[M+H-H2O]+ 189.01226 131.5
[M+HCOO]- 251.01320 156.5
[M+CH3COO]- 265.02885 152.1
[M+Na-2H]- 226.98967 144.5
[M]+ 206.01445 139.7
[M]- 206.01555 139.7
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.