CID 135949426
Schembl3737441
Structural Information
- Molecular Formula
- C23H32N4O6S2
- SMILES
- CC(C)CCC1(CN(C(=O)C(=C1O)C2=NS(=O)(=O)C3=C(N2)C=CC(=C3)NS(=O)(=O)C)C4CCC4)C
- InChI
- InChI=1S/C23H32N4O6S2/c1-14(2)10-11-23(3)13-27(16-6-5-7-16)22(29)19(20(23)28)21-24-17-9-8-15(25-34(4,30)31)12-18(17)35(32,33)26-21/h8-9,12,14,16,25,28H,5-7,10-11,13H2,1-4H3,(H,24,26)
- InChIKey
- XLKQWBFTCKFXAH-UHFFFAOYSA-N
- Compound name
- N-[3-[1-cyclobutyl-4-hydroxy-3-methyl-3-(3-methylbutyl)-6-oxo-2H-pyridin-5-yl]-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-7-yl]methanesulfonamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 525.18361 | 217.2 |
[M+Na]+ | 547.16555 | 218.5 |
[M-H]- | 523.16905 | 217.2 |
[M+NH4]+ | 542.21015 | 215.3 |
[M+K]+ | 563.13949 | 216.4 |
[M+H-H2O]+ | 507.17359 | 203.2 |
[M+HCOO]- | 569.17453 | 214.4 |
[M+CH3COO]- | 583.19018 | 242.3 |
[M+Na-2H]- | 545.15100 | 217.8 |
[M]+ | 524.17578 | 226.5 |
[M]- | 524.17688 | 226.5 |
Literature stripe
No literature data available for this compound.