Systematic / IUPAC Name: [(3R,6R)-6-[(4-tert-Butyltriazol-1-yl)methyl]-1-azabicyclo[2.2.2]octan-3-yl]-morpholin-4-ylmethanone
ID: Reference8899
Other Names: NAT13-309193
Formula: C19H31N5O2
[(3R,6R)-6-{[4-(2-Methyl-2-propanyl)-1H-1,2,3-triazol-1-yl]methyl}-1-azabicyclo[2.2.2]oct-3-yl](4-morpholinyl)methanone mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Fusion Lumos with ETD LBP FAIMS |
No. of Spectral Trees | 2 |
No. of Spectra | 1907 |
Tandem Spectra | MS1, MS2, MS3, MS4, MS5, MS6 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 4/2/2024 10:40:22 AM |
InChI | InChI=1S/C19H31N5O2/c1-19(2,3)17-13-24(21-20-17)11-15-10-14-4-5-23(15)12-16(14)18(25)22-6-8-26-9-7-22/h13-16H,4-12H2,1-3H3/t14?,15-,16+/m1/s1 |
InChI Key | JTMZNAAQEJQVFK-JAIYHHTPSA-N |
Canonical SMILES | CC(C)(C)C1=CN(N=N1)CC2CC3CCN2CC3C(=O)N4CCOCC4 |
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Other Names | NAT13-309193 |
ChemSpider | 21380346 |
PubChem | 44715958 |
ChEMBL | CHEMBL3437408 |