N-(4-Cyanobenzyl)-2-[(1S,4S,5S)-5-isopropyl-4-{[(isopropylcarbamoyl)amino]methyl}-2-methyl-2-cyclohexen-1-yl]acetamide
10394
Reference
N-(4-Cyanobenzyl)-2-[(1S,4S,5S)-5-isopropyl-4-{[(isopropylcarbamoyl)amino]methyl}-2-methyl-2-cyclohexen-1-yl]acetamide Structure
Systematic / IUPAC Name: N-[(4-Cyanophenyl)methyl]-2-[(1S,4S,5S)-2-methyl-5-propan-2-yl-4-[(propan-2-ylcarbamoylamino)methyl]cyclohex-2-en-1-yl]acetamide
ID: Reference10394
Other Names: NAT28-408341
Formula: C25H36N4O2
Spectral Data
N-(4-Cyanobenzyl)-2-[(1S,4S,5S)-5-isopropyl-4-{[(isopropylcarbamoyl)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 | 1 |
| No. of Spectra | 2087 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5, MS6 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/23/2021 11:03:13 AM |
Identificators
| InChI | InChI=1S/C25H36N4O2/c1-16(2)23-11-21(18(5)10-22(23)15-28-25(31)29-17(3)4)12-24(30)27-14-20-8-6-19(13-26)7-9-20/h6-10,16-17,21-23H,11-12,14-15H2,1-5H3,(H,27,30)(H2,28,29,31)/t21-,22-,23-/m0/s1 |
| InChI Key | OATVIFYZJOGUCO-VABKMULXSA-N |
| Canonical SMILES | CC1=CC(C(CC1CC(=O)NCC2=CC=C(C=C2)C#N)C(C)C)CNC(=O)NC(C)C |
| CAS | |
| Splash | |
| Other Names | NAT28-408341 |