2-[(3R,4S)-3-({5-[4-(2-Methyl-2-propanyl)phenyl]-1,2-oxazol-3-yl}methyl)-4-piperidinyl]-1-(4-phenyl-1-piperazinyl)ethanone
12542
Reference
2-[(3R,4S)-3-({5-[4-(2-Methyl-2-propanyl)phenyl]-1,2-oxazol-3-yl}methyl)-4-piperidinyl]-1-(4-phenyl-1-piperazinyl)ethanone Structure
Systematic / IUPAC Name: 2-[(3R,4S)-3-[[5-(4-tert-Butylphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1-(4-phenylpiperazin-1-yl)ethanone
ID: Reference12542
Other Names: NAT14-350412
Formula: C31H40N4O2
Spectral Data
2-[(3R,4S)-3-({5-[4-(2-Methyl-2-propanyl)phenyl]-1,2-oxazol-3-yl}methyl)-4-piperidinyl]-1-(4-phenyl-1-piperazinyl)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 | 1531 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/22/2023 1:06:32 PM |
Identificators
| InChI | InChI=1S/C31H40N4O2/c1-31(2,3)26-11-9-23(10-12-26)29-21-27(33-37-29)19-25-22-32-14-13-24(25)20-30(36)35-17-15-34(16-18-35)28-7-5-4-6-8-28/h4-12,21,24-25,32H,13-20,22H2,1-3H3/t24-,25-/m0/s1 |
| InChI Key | WBRJXXXFAXSHEL-DQEYMECFSA-N |
| Canonical SMILES | CC(C)(C)C1=CC=C(C=C1)C2=CC(=NO2)CC3CNCCC3CC(=O)N4CCN(CC4)C5=CC=CC=C5 |
| CAS | |
| Splash | |
| Other Names | NAT14-350412 |