2-[(1S,4S,5S)-4-(Hydroxymethyl)-5-isopropyl-2-methyl-2-cyclohexen-1-yl]-N-methyl-N-(3-pyridinylmethyl)acetamide
12151
Reference
2-[(1S,4S,5S)-4-(Hydroxymethyl)-5-isopropyl-2-methyl-2-cyclohexen-1-yl]-N-methyl-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-methyl-N-(pyridin-3-ylmethyl)acetamide
ID: Reference12151
Other Names: NAT28-410107
Formula: C20H30N2O2
Spectral Data
2-[(1S,4S,5S)-4-(Hydroxymethyl)-5-isopropyl-2-methyl-2-cyclohexen-1-yl]-N-methyl-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 | 2390 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 1/20/2023 7:47:19 AM |
Identificators
| InChI | InChI=1S/C20H30N2O2/c1-14(2)19-9-17(15(3)8-18(19)13-23)10-20(24)22(4)12-16-6-5-7-21-11-16/h5-8,11,14,17-19,23H,9-10,12-13H2,1-4H3/t17-,18-,19-/m0/s1 |
| InChI Key | PZVLJPHSJDCAEF-FHWLQOOXSA-N |
| Canonical SMILES | CC1=CC(C(CC1CC(=O)N(C)CC2=CN=CC=C2)C(C)C)CO |
| CAS | |
| Splash | |
| Other Names | NAT28-410107 |