2-[(1S,4S,5S)-4-(Cyanomethyl)-5-isopropyl-2-methyl-2-cyclohexen-1-yl]-N-(3-pyridinylmethyl)acetamide
12699
Reference
2-[(1S,4S,5S)-4-(Cyanomethyl)-5-isopropyl-2-methyl-2-cyclohexen-1-yl]-N-(3-pyridinylmethyl)acetamide Structure
Systematic / IUPAC Name: 2-[(1S,4S,5S)-4-(Cyanomethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]-N-(pyridin-3-ylmethyl)acetamide
ID: Reference12699
Other Names: NAT28-409903
Formula: C20H27N3O
Spectral Data
2-[(1S,4S,5S)-4-(Cyanomethyl)-5-isopropyl-2-methyl-2-cyclohexen-1-yl]-N-(3-pyridinylmethyl)acetamide 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 | 965 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 8/3/2023 12:02:00 PM |
Identificators
| InChI | InChI=1S/C20H27N3O/c1-14(2)19-10-18(15(3)9-17(19)6-7-21)11-20(24)23-13-16-5-4-8-22-12-16/h4-5,8-9,12,14,17-19H,6,10-11,13H2,1-3H3,(H,23,24)/t17-,18+,19+/m1/s1 |
| InChI Key | BBLCKQVDCPWMMM-QYZOEREBSA-N |
| Canonical SMILES | CC1=CC(C(CC1CC(=O)NCC2=CN=CC=C2)C(C)C)CC#N |
| CAS | |
| Splash | |
| Other Names | NAT28-409903 |