N-(4-Fluorobenzyl)-2-[(1S,4S,5S)-5-isopropyl-2-methyl-4-{[(methylsulfonyl)amino]methyl}-2-cyclohexen-1-yl]acetamide
10309
Reference
N-(4-Fluorobenzyl)-2-[(1S,4S,5S)-5-isopropyl-2-methyl-4-{[(methylsulfonyl)amino]methyl}-2-cyclohexen-1-yl]acetamide Structure
Systematic / IUPAC Name: N-[(4-Fluorophenyl)methyl]-2-[(1S,4S,5S)-4-(methanesulfonamidomethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide
ID: Reference10309
Other Names: NAT28-403733
Formula: C21H31FN2O3S
Spectral Data
N-(4-Fluorobenzyl)-2-[(1S,4S,5S)-5-isopropyl-2-methyl-4-{[(methylsulfonyl)amino]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 | 3133 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/19/2021 1:42:49 PM |
Identificators
| InChI | InChI=1S/C21H31FN2O3S/c1-14(2)20-10-17(15(3)9-18(20)13-24-28(4,26)27)11-21(25)23-12-16-5-7-19(22)8-6-16/h5-9,14,17-18,20,24H,10-13H2,1-4H3,(H,23,25)/t17-,18-,20-/m0/s1 |
| InChI Key | ZDAHFKRHZKUDHQ-BJLQDIEVSA-N |
| Canonical SMILES | CC1=CC(C(CC1CC(=O)NCC2=CC=C(C=C2)F)C(C)C)CNS(=O)(=O)C |
| CAS | |
| Splash | |
| Other Names | NAT28-403733 |