N-{[(1S,4S,6S)-6-Isopropyl-4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-3-methyl-2-cyclohexen-1-yl]methyl}nicotinamide
10795
Reference
N-{[(1S,4S,6S)-6-Isopropyl-4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-3-methyl-2-cyclohexen-1-yl]methyl}nicotinamide Structure
Systematic / IUPAC Name: N-[[(1S,4S,6S)-4-[2-(2-Methoxyethylamino)-2-oxoethyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]pyridine-3-carboxamide
ID: Reference10795
Other Names: NAT28-404279
Formula: C22H33N3O3
Spectral Data
N-{[(1S,4S,6S)-6-Isopropyl-4-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-3-methyl-2-cyclohexen-1-yl]methyl}nicotinamide 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 | 2 |
| No. of Spectra | 3905 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 8/27/2021 7:29:16 AM |
Identificators
| InChI | InChI=1S/C22H33N3O3/c1-15(2)20-11-18(12-21(26)24-8-9-28-4)16(3)10-19(20)14-25-22(27)17-6-5-7-23-13-17/h5-7,10,13,15,18-20H,8-9,11-12,14H2,1-4H3,(H,24,26)(H,25,27)/t18-,19-,20-/m0/s1 |
| InChI Key | DOUFMKWVCOCOFL-UFYCRDLUSA-N |
| Canonical SMILES | CC1=CC(C(CC1CC(=O)NCCOC)C(C)C)CNC(=O)C2=CN=CC=C2 |
| CAS | |
| Splash | |
| Other Names | NAT28-404279 |