3-[5-({(1S,4S,5S)-5-Isopropyl-2-methyl-4-[(4-methyl-1-piperidinyl)methyl]-2-cyclohexen-1-yl}methyl)-1,3,4-oxadiazol-2-yl]pyridine
12150
Reference
3-[5-({(1S,4S,5S)-5-Isopropyl-2-methyl-4-[(4-methyl-1-piperidinyl)methyl]-2-cyclohexen-1-yl}methyl)-1,3,4-oxadiazol-2-yl]pyridine Structure
Systematic / IUPAC Name: 2-[[(1S,4S,5S)-2-Methyl-4-[(4-methylpiperidin-1-yl)methyl]-5-propan-2-ylcyclohex-2-en-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
ID: Reference12150
Other Names: NAT28-411376
Formula: C25H36N4O
Spectral Data
3-[5-({(1S,4S,5S)-5-Isopropyl-2-methyl-4-[(4-methyl-1-piperidinyl)methyl]-2-cyclohexen-1-yl}methyl)-1,3,4-oxadiazol-2-yl]pyridine 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 | 1670 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 1/20/2023 7:45:40 AM |
Identificators
| InChI | InChI=1S/C25H36N4O/c1-17(2)23-13-21(14-24-27-28-25(30-24)20-6-5-9-26-15-20)19(4)12-22(23)16-29-10-7-18(3)8-11-29/h5-6,9,12,15,17-18,21-23H,7-8,10-11,13-14,16H2,1-4H3/t21-,22-,23-/m0/s1 |
| InChI Key | RJHNPRNIIGGZDE-VABKMULXSA-N |
| Canonical SMILES | CC1CCN(CC1)CC2C=C(C(CC2C(C)C)CC3=NN=C(O3)C4=CN=CC=C4)C |
| CAS | |
| Splash | |
| Other Names | NAT28-411376 |