N-{[(1S,4S,6S)-6-Isopropyl-3-methyl-4-{2-oxo-2-[(2-pyridinylmethyl)amino]ethyl}-2-cyclohexen-1-yl]methyl}-2-methoxybenzamide
11955
Reference
N-{[(1S,4S,6S)-6-Isopropyl-3-methyl-4-{2-oxo-2-[(2-pyridinylmethyl)amino]ethyl}-2-cyclohexen-1-yl]methyl}-2-methoxybenzamide Structure
Systematic / IUPAC Name: 2-Methoxy-N-[[(1S,4S,6S)-3-methyl-4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]benzamide
ID: Reference11955
Other Names: NAT28-405661
Formula: C27H35N3O3
Spectral Data
N-{[(1S,4S,6S)-6-Isopropyl-3-methyl-4-{2-oxo-2-[(2-pyridinylmethyl)amino]ethyl}-2-cyclohexen-1-yl]methyl}-2-methoxybenzamide 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 | 2697 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/14/2022 3:49:44 PM |
Identificators
| InChI | InChI=1S/C27H35N3O3/c1-18(2)24-14-20(15-26(31)29-17-22-9-7-8-12-28-22)19(3)13-21(24)16-30-27(32)23-10-5-6-11-25(23)33-4/h5-13,18,20-21,24H,14-17H2,1-4H3,(H,29,31)(H,30,32)/t20-,21-,24-/m0/s1 |
| InChI Key | ANGXMCPPHQCUIV-HFMPRLQTSA-N |
| Canonical SMILES | CC1=CC(C(CC1CC(=O)NCC2=CC=CC=N2)C(C)C)CNC(=O)C3=CC=CC=C3OC |
| CAS | |
| Splash | |
| Other Names | NAT28-405661 |