4-(5-{[(1S,4S,5S)-5-Isopropyl-2-methyl-4-{[(2-pyridinylmethyl)amino]methyl}-2-cyclohexen-1-yl]methyl}-1,3,4-oxadiazol-2-yl)-N,N-dimethylaniline
10556
Reference
4-(5-{[(1S,4S,5S)-5-Isopropyl-2-methyl-4-{[(2-pyridinylmethyl)amino]methyl}-2-cyclohexen-1-yl]methyl}-1,3,4-oxadiazol-2-yl)-N,N-dimethylaniline Structure
Systematic / IUPAC Name: N,N-Dimethyl-4-[5-[[(1S,4S,5S)-2-methyl-5-propan-2-yl-4-[(pyridin-2-ylmethylamino)methyl]cyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazol-2-yl]aniline
ID: Reference10556
Other Names: NAT28-412615
Formula: C28H37N5O
Spectral Data
4-(5-{[(1S,4S,5S)-5-Isopropyl-2-methyl-4-{[(2-pyridinylmethyl)amino]methyl}-2-cyclohexen-1-yl]methyl}-1,3,4-oxadiazol-2-yl)-N,N-dimethylaniline 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 | 1749 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/18/2021 7:04:22 AM |
Identificators
| InChI | InChI=1S/C28H37N5O/c1-19(2)26-15-22(20(3)14-23(26)17-29-18-24-8-6-7-13-30-24)16-27-31-32-28(34-27)21-9-11-25(12-10-21)33(4)5/h6-14,19,22-23,26,29H,15-18H2,1-5H3/t22-,23-,26-/m0/s1 |
| InChI Key | DNHKWSNRRSNNSI-FXSPECFOSA-N |
| Canonical SMILES | CC1=CC(C(CC1CC2=NN=C(O2)C3=CC=C(C=C3)N(C)C)C(C)C)CNCC4=CC=CC=N4 |
| CAS | |
| Splash | |
| Other Names | NAT28-412615 |