N-({(1S,4S,6S)-6-Isopropyl-3-methyl-4-[2-oxo-2-(2-propyn-1-ylamino)ethyl]-2-cyclohexen-1-yl}methyl)-2-pyridinecarboxamide
12955
Reference
N-({(1S,4S,6S)-6-Isopropyl-3-methyl-4-[2-oxo-2-(2-propyn-1-ylamino)ethyl]-2-cyclohexen-1-yl}methyl)-2-pyridinecarboxamide Structure
Systematic / IUPAC Name: N-[[(1S,4S,6S)-3-Methyl-4-[2-oxo-2-(prop-2-ynylamino)ethyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]pyridine-2-carboxamide
ID: Reference12955
Other Names: NAT28-405981
Formula: C22H29N3O2
Spectral Data
N-({(1S,4S,6S)-6-Isopropyl-3-methyl-4-[2-oxo-2-(2-propyn-1-ylamino)ethyl]-2-cyclohexen-1-yl}methyl)-2-pyridinecarboxamide 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 | 1810 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 1/5/2024 10:23:57 AM |
Identificators
| InChI | InChI=1S/C22H29N3O2/c1-5-9-24-21(26)13-17-12-19(15(2)3)18(11-16(17)4)14-25-22(27)20-8-6-7-10-23-20/h1,6-8,10-11,15,17-19H,9,12-14H2,2-4H3,(H,24,26)(H,25,27)/t17-,18-,19-/m0/s1 |
| InChI Key | CQWZQQZKISLYHS-FHWLQOOXSA-N |
| Canonical SMILES | CC1=CC(C(CC1CC(=O)NCC#C)C(C)C)CNC(=O)C2=CC=CC=N2 |
| CAS | |
| Splash | |
| Other Names | NAT28-405981 |