(1-Ethyl-3-methyl-1H-pyrazol-5-yl)[(6R)-6-(3-pyridinyloxy)-1,4-oxazepan-4-yl]methanone
12826
Reference
(1-Ethyl-3-methyl-1H-pyrazol-5-yl)[(6R)-6-(3-pyridinyloxy)-1,4-oxazepan-4-yl]methanone Structure
Systematic / IUPAC Name: (2-Ethyl-5-methylpyrazol-3-yl)-[(6R)-6-pyridin-3-yloxy-1,4-oxazepan-4-yl]methanone
ID: Reference12826
Other Names: NAT47-552250
Formula: C17H22N4O3
Spectral Data
(1-Ethyl-3-methyl-1H-pyrazol-5-yl)[(6R)-6-(3-pyridinyloxy)-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 | 925 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 10/16/2023 4:10:45 PM |
Identificators
| InChI | InChI=1S/C17H22N4O3/c1-3-21-16(9-13(2)19-21)17(22)20-7-8-23-12-15(11-20)24-14-5-4-6-18-10-14/h4-6,9-10,15H,3,7-8,11-12H2,1-2H3/t15-/m1/s1 |
| InChI Key | FLTJRLACQVNFBY-OAHLLOKOSA-N |
| Canonical SMILES | CCN1C(=CC(=N1)C)C(=O)N2CCOCC(C2)OC3=CN=CC=C3 |
| CAS | |
| Splash | |
| Other Names | NAT47-552250 |