CID 43148
59943-31-6
Structural Information
- Molecular Formula
- C12H15ClN4O2S
- SMILES
- CN1CCN(CC1)C2=NS(=O)(=O)C3=C(N2)C=CC(=C3)Cl
- InChI
- InChI=1S/C12H15ClN4O2S/c1-16-4-6-17(7-5-16)12-14-10-3-2-9(13)8-11(10)20(18,19)15-12/h2-3,8H,4-7H2,1H3,(H,14,15)
- InChIKey
- JPZVJONKWYICFB-UHFFFAOYSA-N
- Compound name
- 7-chloro-3-(4-methylpiperazin-1-yl)-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 315.06770 | 166.5 |
[M+Na]+ | 337.04964 | 176.7 |
[M-H]- | 313.05314 | 167.2 |
[M+NH4]+ | 332.09424 | 179.5 |
[M+K]+ | 353.02358 | 170.1 |
[M+H-H2O]+ | 297.05768 | 158.3 |
[M+HCOO]- | 359.05862 | 169.9 |
[M+CH3COO]- | 373.07427 | 175.8 |
[M+Na-2H]- | 335.03509 | 169.6 |
[M]+ | 314.05987 | 165.6 |
[M]- | 314.06097 | 165.6 |