4-[({[(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}amino)methyl]benzonitrile
13021
Reference
4-[({[(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}amino)methyl]benzonitrile Structure
Systematic / IUPAC Name: 4-[[[(1S,4S,6S)-4-[(5-tert-Butyl-1,3,4-oxadiazol-2-yl)methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methylamino]methyl]benzonitrile
ID: Reference13021
Other Names: NAT28-414674
Formula: C26H36N4O
Spectral Data
4-[({[(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}amino)methyl]benzonitrile 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 | 930 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/19/2024 12:15:06 PM |
Identificators
| InChI | InChI=1S/C26H36N4O/c1-17(2)23-12-21(13-24-29-30-25(31-24)26(4,5)6)18(3)11-22(23)16-28-15-20-9-7-19(14-27)8-10-20/h7-11,17,21-23,28H,12-13,15-16H2,1-6H3/t21-,22-,23-/m0/s1 |
| InChI Key | GUHGIPZJKXPPJT-VABKMULXSA-N |
| Canonical SMILES | CC1=CC(C(CC1CC2=NN=C(O2)C(C)(C)C)C(C)C)CNCC3=CC=C(C=C3)C#N |
| CAS | |
| Splash | |
| Other Names | NAT28-414674 |