N-{[(1S,4S,6S)-4-{2-[Benzyl(methyl)amino]-2-oxoethyl}-6-isopropyl-3-methyl-2-cyclohexen-1-yl]methyl}isonicotinamide
10315
Reference
N-{[(1S,4S,6S)-4-{2-[Benzyl(methyl)amino]-2-oxoethyl}-6-isopropyl-3-methyl-2-cyclohexen-1-yl]methyl}isonicotinamide Structure
Systematic / IUPAC Name: N-[[(1S,4S,6S)-4-[2-[Benzyl(methyl)amino]-2-oxoethyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]pyridine-4-carboxamide
ID: Reference10315
Other Names: NAT28-402575
Formula: C27H35N3O2
Spectral Data
N-{[(1S,4S,6S)-4-{2-[Benzyl(methyl)amino]-2-oxoethyl}-6-isopropyl-3-methyl-2-cyclohexen-1-yl]methyl}isonicotinamide 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 | 1737 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/26/2021 8:27:23 AM |
Identificators
| InChI | InChI=1S/C27H35N3O2/c1-19(2)25-15-23(16-26(31)30(4)18-21-8-6-5-7-9-21)20(3)14-24(25)17-29-27(32)22-10-12-28-13-11-22/h5-14,19,23-25H,15-18H2,1-4H3,(H,29,32)/t23-,24-,25-/m0/s1 |
| InChI Key | PKJLKXJGLOIRMA-SDHOMARFSA-N |
| Canonical SMILES | CC1=CC(C(CC1CC(=O)N(C)CC2=CC=CC=C2)C(C)C)CNC(=O)C3=CC=NC=C3 |
| CAS | |
| Splash | |
| Other Names | NAT28-402575 |