2-(4-Methoxyphenyl)-1-[(6R)-6-{[5-(trifluoromethyl)-2-pyridinyl]oxy}-1,4-oxazepan-4-yl]ethanone
12843
Reference
2-(4-Methoxyphenyl)-1-[(6R)-6-{[5-(trifluoromethyl)-2-pyridinyl]oxy}-1,4-oxazepan-4-yl]ethanone Structure
Systematic / IUPAC Name: 2-(4-Methoxyphenyl)-1-[(6R)-6-[5-(trifluoromethyl)pyridin-2-yl]oxy-1,4-oxazepan-4-yl]ethanone
ID: Reference12843
Other Names: NAT47-546990
Formula: C20H21F3N2O4
Spectral Data
2-(4-Methoxyphenyl)-1-[(6R)-6-{[5-(trifluoromethyl)-2-pyridinyl]oxy}-1,4-oxazepan-4-yl]ethanone 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 | 680 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 10/27/2023 7:36:51 AM |
Identificators
| InChI | InChI=1S/C20H21F3N2O4/c1-27-16-5-2-14(3-6-16)10-19(26)25-8-9-28-13-17(12-25)29-18-7-4-15(11-24-18)20(21,22)23/h2-7,11,17H,8-10,12-13H2,1H3/t17-/m1/s1 |
| InChI Key | QTLXOIXLHPVXAM-QGZVFWFLSA-N |
| Canonical SMILES | COC1=CC=C(C=C1)CC(=O)N2CCOCC(C2)OC3=NC=C(C=C3)C(F)(F)F |
| CAS | |
| Splash | |
| Other Names | NAT47-546990 |