2-[(1S,4S,5S)-4-(Hydroxymethyl)-5-isopropyl-2-methyl-2-cyclohexen-1-yl]-N-(3-pyridinylmethyl)acetamide
13144
Reference
2-[(1S,4S,5S)-4-(Hydroxymethyl)-5-isopropyl-2-methyl-2-cyclohexen-1-yl]-N-(3-pyridinylmethyl)acetamide Structure
Systematic / IUPAC Name: 2-[(1S,4S,5S)-4-(Hydroxymethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]-N-(pyridin-3-ylmethyl)acetamide
ID: Reference13144
Other Names: NAT28-410075
Formula: C19H28N2O2
Spectral Data
2-[(1S,4S,5S)-4-(Hydroxymethyl)-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 | 1034 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/17/2024 5:33:15 PM |
Identificators
| InChI | InChI=1S/C19H28N2O2/c1-13(2)18-8-16(14(3)7-17(18)12-22)9-19(23)21-11-15-5-4-6-20-10-15/h4-7,10,13,16-18,22H,8-9,11-12H2,1-3H3,(H,21,23)/t16-,17-,18-/m0/s1 |
| InChI Key | RLHBOLBJLORGTA-BZSNNMDCSA-N |
| Canonical SMILES | CC1=CC(C(CC1CC(=O)NCC2=CN=CC=C2)C(C)C)CO |
| CAS | |
| Splash | |
| Other Names | NAT28-410075 |