CID 3040990
Brn 0980369
Structural Information
- Molecular Formula
- C7H7N3OS
- SMILES
- CN1C(=O)CSC2=NC=CN=C21
- InChI
- InChI=1S/C7H7N3OS/c1-10-5(11)4-12-7-6(10)8-2-3-9-7/h2-3H,4H2,1H3
- InChIKey
- HDKKYWRJDNVQFD-UHFFFAOYSA-N
- Compound name
- 4-methylpyrazino[2,3-b][1,4]thiazin-3-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 182.03827 | 134.3 |
[M+Na]+ | 204.02021 | 144.6 |
[M-H]- | 180.02371 | 135.1 |
[M+NH4]+ | 199.06481 | 152.2 |
[M+K]+ | 219.99415 | 141.3 |
[M+H-H2O]+ | 164.02825 | 127.1 |
[M+HCOO]- | 226.02919 | 148.0 |
[M+CH3COO]- | 240.04484 | 147.0 |
[M+Na-2H]- | 202.00566 | 140.1 |
[M]+ | 181.03044 | 134.8 |
[M]- | 181.03154 | 134.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.