2-[(6R)-6-{[5-(Trifluoromethyl)-2-pyridinyl]oxy}-1,4-oxazepan-4-yl]-1,3-benzothiazole
12862
Reference
2-[(6R)-6-{[5-(Trifluoromethyl)-2-pyridinyl]oxy}-1,4-oxazepan-4-yl]-1,3-benzothiazole Structure
Systematic / IUPAC Name: (6R)-4-(1,3-Benzothiazol-2-yl)-6-[5-(trifluoromethyl)pyridin-2-yl]oxy-1,4-oxazepane
ID: Reference12862
Other Names: NAT47-560470
Formula: C18H16F3N3O2S
Spectral Data
2-[(6R)-6-{[5-(Trifluoromethyl)-2-pyridinyl]oxy}-1,4-oxazepan-4-yl]-1,3-benzothiazole 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 | 1037 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/7/2023 12:24:40 PM |
Identificators
| InChI | InChI=1S/C18H16F3N3O2S/c19-18(20,21)12-5-6-16(22-9-12)26-13-10-24(7-8-25-11-13)17-23-14-3-1-2-4-15(14)27-17/h1-6,9,13H,7-8,10-11H2/t13-/m1/s1 |
| InChI Key | XKENRSXDTIUJFW-CYBMUJFWSA-N |
| Canonical SMILES | C1COCC(CN1C2=NC3=CC=CC=C3S2)OC4=NC=C(C=C4)C(F)(F)F |
| CAS | |
| Splash | |
| Other Names | NAT47-560470 |