N-(4-Cyanobenzyl)-2-[(1S,4S,5S)-5-isopropyl-4-{[(methoxyacetyl)amino]methyl}-2-methyl-2-cyclohexen-1-yl]acetamide
10455
Reference
N-(4-Cyanobenzyl)-2-[(1S,4S,5S)-5-isopropyl-4-{[(methoxyacetyl)amino]methyl}-2-methyl-2-cyclohexen-1-yl]acetamide Structure
Systematic / IUPAC Name: N-[(4-Cyanophenyl)methyl]-2-[(1S,4S,5S)-4-[[(2-methoxyacetyl)amino]methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide
ID: Reference10455
Other Names: NAT28-408382
Formula: C24H33N3O3
Spectral Data
N-(4-Cyanobenzyl)-2-[(1S,4S,5S)-5-isopropyl-4-{[(methoxyacetyl)amino]methyl}-2-methyl-2-cyclohexen-1-yl]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 | 2 |
| No. of Spectra | 3231 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/14/2021 8:50:09 AM |
Identificators
| InChI | InChI=1S/C24H33N3O3/c1-16(2)22-10-20(17(3)9-21(22)14-27-24(29)15-30-4)11-23(28)26-13-19-7-5-18(12-25)6-8-19/h5-9,16,20-22H,10-11,13-15H2,1-4H3,(H,26,28)(H,27,29)/t20-,21-,22-/m0/s1 |
| InChI Key | VCLKRYKHYPATGO-FKBYEOEOSA-N |
| Canonical SMILES | CC1=CC(C(CC1CC(=O)NCC2=CC=C(C=C2)C#N)C(C)C)CNC(=O)COC |
| CAS | |
| Splash | |
| Other Names | NAT28-408382 |