Systematic / IUPAC Name: 4-Fluoro-N-[7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-(2-oxo-2-piperidin-1-ylethyl)-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]benzamide
ID: Reference9023
Other Names:
Benzamide, 4-fluoro-N-[4,4a,5,6,7,8,8a,9-octahydro-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-[2-oxo-2-(1-piperidinyl)ethyl]naphtho[2,3-d]thiazol-2-yl]-;
NAT8-264156
Formula: C28H36FN3O4S
4-Fluoro-N-{7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-[2-oxo-2-(1-piperidinyl)ethyl]-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-d][1,3]thiazol-2-yl}benzamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Fusion Lumos with ETD LBP FAIMS |
No. of Spectral Trees | 1 |
No. of Spectra | 1336 |
Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 10/21/2019 6:50:49 AM |
InChI | InChI=1S/C28H36FN3O4S/c1-27-11-10-22(34)28(2,16-33)21(27)15-20-24(19(27)14-23(35)32-12-4-3-5-13-32)30-26(37-20)31-25(36)17-6-8-18(29)9-7-17/h6-9,19,21-22,33-34H,3-5,10-16H2,1-2H3,(H,30,31,36) |
InChI Key | SESYXAVIDSXZEW-UHFFFAOYSA-N |
Canonical SMILES | CC12CCC(C(C1CC3=C(C2CC(=O)N4CCCCC4)N=C(S3)NC(=O)C5=CC=C(C=C5)F)(C)CO)O |
CAS | |
Splash | |
Other Names |
Benzamide, 4-fluoro-N-[4,4a,5,6,7,8,8a,9-octahydro-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4-[2-oxo-2-(1-piperidinyl)ethyl]naphtho[2,3-d]thiazol-2-yl]-; NAT8-264156 |