(6R)-4-[(1-Methyl-1H-imidazol-2-yl)methyl]-6-{[5-(trifluoromethyl)-2-pyridinyl]oxy}-1,4-oxazepane
11636
Reference
(6R)-4-[(1-Methyl-1H-imidazol-2-yl)methyl]-6-{[5-(trifluoromethyl)-2-pyridinyl]oxy}-1,4-oxazepane Structure
Systematic / IUPAC Name: (6R)-4-[(1-Methylimidazol-2-yl)methyl]-6-[5-(trifluoromethyl)pyridin-2-yl]oxy-1,4-oxazepane
ID: Reference11636
Other Names: NAT47-547488
Formula: C16H19F3N4O2
Spectral Data
(6R)-4-[(1-Methyl-1H-imidazol-2-yl)methyl]-6-{[5-(trifluoromethyl)-2-pyridinyl]oxy}-1,4-oxazepane 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 | 394 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 8/8/2022 10:25:52 AM |
Identificators
| InChI | InChI=1S/C16H19F3N4O2/c1-22-5-4-20-14(22)10-23-6-7-24-11-13(9-23)25-15-3-2-12(8-21-15)16(17,18)19/h2-5,8,13H,6-7,9-11H2,1H3/t13-/m1/s1 |
| InChI Key | AQTAMRAAKGSHAM-CYBMUJFWSA-N |
| Canonical SMILES | CN1C=CN=C1CN2CCOCC(C2)OC3=NC=C(C=C3)C(F)(F)F |
| CAS | |
| Splash | |
| Other Names | NAT47-547488 |