N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1,2-dimethyl-1H-imidazole-4-sulfonamide
3541
Reference
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1,2-dimethyl-1H-imidazole-4-sulfonamide Structure
Systematic / IUPAC Name: N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1,2-dimethylimidazole-4-sulfonamide
ID: Reference3541
Other Names: 1H-Imidazole-4-sulfonamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-dimethyl-
Formula: C13H15N3O4S
Spectral Data
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1,2-dimethyl-1H-imidazole-4-sulfonamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Elite; Q Exactive Orbitrap |
| No. of Spectral Trees | 3 |
| No. of Spectra | 1035 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | ESI; NSI |
| Analyzers | IT; FT |
| Last Modification | 1/12/2016 8:13:54 AM |
Identificators
| InChI | InChI=1S/C13H15N3O4S/c1-9-14-13(8-16(9)2)21(17,18)15-10-3-4-11-12(7-10)20-6-5-19-11/h3-4,7-8,15H,5-6H2,1-2H3 |
| InChI Key | WJHQJVWYQRZRCX-UHFFFAOYSA-N |
| Canonical SMILES | CC1=NC(=CN1C)S(=O)(=O)NC2=CC3=C(C=C2)OCCO3 |
| CAS | |
| Splash | |
| Other Names | 1H-Imidazole-4-sulfonamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-dimethyl- |
In Other Databases
| PubChem | 2810645 |
| ChEMBL | CHEMBL1726624 |
| ChemSpider | 2089060 |