2-Pyrazinyl[(6R)-6-{[5-(trifluoromethyl)-2-pyridinyl]oxy}-1,4-oxazepan-4-yl]methanone
12927
Reference
2-Pyrazinyl[(6R)-6-{[5-(trifluoromethyl)-2-pyridinyl]oxy}-1,4-oxazepan-4-yl]methanone Structure
Systematic / IUPAC Name: Pyrazin-2-yl-[(6R)-6-[5-(trifluoromethyl)pyridin-2-yl]oxy-1,4-oxazepan-4-yl]methanone
ID: Reference12927
Other Names: NAT47-547004
Formula: C16H15F3N4O3
Spectral Data
2-Pyrazinyl[(6R)-6-{[5-(trifluoromethyl)-2-pyridinyl]oxy}-1,4-oxazepan-4-yl]methanone 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 | 898 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 12/12/2023 3:04:18 PM |
Identificators
| InChI | InChI=1S/C16H15F3N4O3/c17-16(18,19)11-1-2-14(22-7-11)26-12-9-23(5-6-25-10-12)15(24)13-8-20-3-4-21-13/h1-4,7-8,12H,5-6,9-10H2/t12-/m1/s1 |
| InChI Key | VUTXHIAICYOIPT-GFCCVEGCSA-N |
| Canonical SMILES | C1COCC(CN1C(=O)C2=NC=CN=C2)OC3=NC=C(C=C3)C(F)(F)F |
| CAS | |
| Splash | |
| Other Names | NAT47-547004 |