N-{[(1S,4S,6S)-6-Isopropyl-3-methyl-4-{[5-(2-methyl-2-propanyl)-1,3,4-oxadiazol-2-yl]methyl}-2-cyclohexen-1-yl]methyl}-2-(4-morpholinyl)ethanamine
13135
Reference
N-{[(1S,4S,6S)-6-Isopropyl-3-methyl-4-{[5-(2-methyl-2-propanyl)-1,3,4-oxadiazol-2-yl]methyl}-2-cyclohexen-1-yl]methyl}-2-(4-morpholinyl)ethanamine Structure
Systematic / IUPAC Name: N-[[(1S,4S,6S)-4-[(5-tert-Butyl-1,3,4-oxadiazol-2-yl)methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]-2-morpholin-4-ylethanamine
ID: Reference13135
Other Names: NAT28-414579
Formula: C24H42N4O2
Spectral Data
N-{[(1S,4S,6S)-6-Isopropyl-3-methyl-4-{[5-(2-methyl-2-propanyl)-1,3,4-oxadiazol-2-yl]methyl}-2-cyclohexen-1-yl]methyl}-2-(4-morpholinyl)ethanamine 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 | 1195 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/9/2024 10:48:18 AM |
Identificators
| InChI | InChI=1S/C24H42N4O2/c1-17(2)21-14-19(15-22-26-27-23(30-22)24(4,5)6)18(3)13-20(21)16-25-7-8-28-9-11-29-12-10-28/h13,17,19-21,25H,7-12,14-16H2,1-6H3/t19-,20-,21-/m0/s1 |
| InChI Key | MHNPUUJSWIQIJL-ACRUOGEOSA-N |
| Canonical SMILES | CC1=CC(C(CC1CC2=NN=C(O2)C(C)(C)C)C(C)C)CNCCN3CCOCC3 |
| CAS | |
| Splash | |
| Other Names | NAT28-414579 |
In Other Databases
| PubChem | 38031153 |
| ChemSpider | 22937548 |
| ChEMBL | CHEMBL4964691 |