5-Pyrimidinyl[(6R)-6-{[5-(trifluoromethyl)-2-pyridinyl]oxy}-1,4-oxazepan-4-yl]methanone
13028
Reference
5-Pyrimidinyl[(6R)-6-{[5-(trifluoromethyl)-2-pyridinyl]oxy}-1,4-oxazepan-4-yl]methanone Structure
Systematic / IUPAC Name: Pyrimidin-5-yl-[(6R)-6-[5-(trifluoromethyl)pyridin-2-yl]oxy-1,4-oxazepan-4-yl]methanone
ID: Reference13028
Other Names: NAT47-552614
Formula: C16H15F3N4O3
Spectral Data
5-Pyrimidinyl[(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 | 939 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/23/2024 1:21:01 PM |
Identificators
| InChI | InChI=1S/C16H15F3N4O3/c17-16(18,19)12-1-2-14(22-7-12)26-13-8-23(3-4-25-9-13)15(24)11-5-20-10-21-6-11/h1-2,5-7,10,13H,3-4,8-9H2/t13-/m1/s1 |
| InChI Key | GIURJWXFNOPITF-CYBMUJFWSA-N |
| Canonical SMILES | C1COCC(CN1C(=O)C2=CN=CN=C2)OC3=NC=C(C=C3)C(F)(F)F |
| CAS | |
| Splash | |
| Other Names | NAT47-552614 |