(2S)-2-[(4S,4aS,5S,8aS)-5-Hydroxy-4,8a-dimethyl-2-(methylamino)-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-6-yl]-1-(4-thiomorpholinyl)-1-propanone
12344
Reference
(2S)-2-[(4S,4aS,5S,8aS)-5-Hydroxy-4,8a-dimethyl-2-(methylamino)-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-6-yl]-1-(4-thiomorpholinyl)-1-propanone Structure
Systematic / IUPAC Name: (2S)-2-[(4S,4aS,5S,8aS)-5-Hydroxy-4,8a-dimethyl-2-(methylamino)-4a,5,6,7,8,9-hexahydro-4H-benzo[f][1,3]benzothiazol-6-yl]-1-thiomorpholin-4-ylpropan-1-one
ID: Reference12344
Other Names: NAT5-256955
Formula: C21H33N3O2S2
Spectral Data
(2S)-2-[(4S,4aS,5S,8aS)-5-Hydroxy-4,8a-dimethyl-2-(methylamino)-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-6-yl]-1-(4-thiomorpholinyl)-1-propanone 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 Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 729 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/7/2023 11:41:57 AM |
Identificators
| InChI | InChI=1S/C21H33N3O2S2/c1-12(19(26)24-7-9-27-10-8-24)14-5-6-21(3)11-15-17(23-20(22-4)28-15)13(2)16(21)18(14)25/h12-14,16,18,25H,5-11H2,1-4H3,(H,22,23)/t12-,13-,14?,16+,18-,21-/m0/s1 |
| InChI Key | HQSUAJHCASOPJY-PAAGAFQASA-N |
| Canonical SMILES | CC1C2C(C(CCC2(CC3=C1N=C(S3)NC)C)C(C)C(=O)N4CCSCC4)O |
| CAS | |
| Splash | |
| Other Names | NAT5-256955 |