1-({(1S,4S,6S)-6-Isopropyl-3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-cyclohexen-1-yl}methyl)-4-methylpiperazine
12351
Reference
1-({(1S,4S,6S)-6-Isopropyl-3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-cyclohexen-1-yl}methyl)-4-methylpiperazine Structure
Systematic / IUPAC Name: 2-[[(1S,4S,5S)-2-Methyl-4-[(4-methylpiperazin-1-yl)methyl]-5-propan-2-ylcyclohex-2-en-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
ID: Reference12351
Other Names: NAT28-410479
Formula: C25H36N4O
Spectral Data
1-({(1S,4S,6S)-6-Isopropyl-3-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-2-cyclohexen-1-yl}methyl)-4-methylpiperazine 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 | 1557 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/7/2023 12:43:26 PM |
Identificators
| InChI | InChI=1S/C25H36N4O/c1-18(2)23-15-21(16-24-26-27-25(30-24)20-8-6-5-7-9-20)19(3)14-22(23)17-29-12-10-28(4)11-13-29/h5-9,14,18,21-23H,10-13,15-17H2,1-4H3/t21-,22-,23-/m0/s1 |
| InChI Key | FMHRMUWVVAUDBZ-VABKMULXSA-N |
| Canonical SMILES | CC1=CC(C(CC1CC2=NN=C(O2)C3=CC=CC=C3)C(C)C)CN4CCN(CC4)C |
| CAS | |
| Splash | |
| Other Names | NAT28-410479 |