CID 3043858
Brn 0532615
Structural Information
- Molecular Formula
- C6H5N3O3S
- SMILES
- C1C(=O)NC2=C(S1)NC(=O)NC2=O
- InChI
- InChI=1S/C6H5N3O3S/c10-2-1-13-5-3(7-2)4(11)8-6(12)9-5/h1H2,(H,7,10)(H2,8,9,11,12)
- InChIKey
- VEUPLHOXUKHOKG-UHFFFAOYSA-N
- Compound name
- 1,5-dihydropyrimido[4,5-b][1,4]thiazine-2,4,6-trione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 200.01244 | 137.2 |
[M+Na]+ | 221.99438 | 147.6 |
[M-H]- | 197.99788 | 134.2 |
[M+NH4]+ | 217.03898 | 152.1 |
[M+K]+ | 237.96832 | 141.6 |
[M+H-H2O]+ | 182.00242 | 131.2 |
[M+HCOO]- | 244.00336 | 147.3 |
[M+CH3COO]- | 258.01901 | 148.2 |
[M+Na-2H]- | 219.97983 | 141.7 |
[M]+ | 199.00461 | 133.8 |
[M]- | 199.00571 | 133.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.