1-[4-(2-Hydroxyethyl)-1-piperazinyl]-2-[(1S,4S,5S)-4-(hydroxymethyl)-5-isopropyl-2-methyl-2-cyclohexen-1-yl]ethanone
12655
Reference
1-[4-(2-Hydroxyethyl)-1-piperazinyl]-2-[(1S,4S,5S)-4-(hydroxymethyl)-5-isopropyl-2-methyl-2-cyclohexen-1-yl]ethanone Structure
Systematic / IUPAC Name: 1-[4-(2-Hydroxyethyl)piperazin-1-yl]-2-[(1S,4S,5S)-4-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]ethanone
ID: Reference12655
Other Names: NAT28-410055
Formula: C19H34N2O3
Spectral Data
1-[4-(2-Hydroxyethyl)-1-piperazinyl]-2-[(1S,4S,5S)-4-(hydroxymethyl)-5-isopropyl-2-methyl-2-cyclohexen-1-yl]ethanone 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 | 1725 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 7/14/2023 10:05:06 AM |
Identificators
| InChI | InChI=1S/C19H34N2O3/c1-14(2)18-11-16(15(3)10-17(18)13-23)12-19(24)21-6-4-20(5-7-21)8-9-22/h10,14,16-18,22-23H,4-9,11-13H2,1-3H3/t16-,17-,18-/m0/s1 |
| InChI Key | PBHFBZLZASVUSP-BZSNNMDCSA-N |
| Canonical SMILES | CC1=CC(C(CC1CC(=O)N2CCN(CC2)CCO)C(C)C)CO |
| CAS | |
| Splash | |
| Other Names | NAT28-410055 |