4-(5-{[(1S,4S,5S)-5-Isopropyl-2-methyl-4-{[(3-pyridinylmethyl)amino]methyl}-2-cyclohexen-1-yl]methyl}-1,3,4-oxadiazol-2-yl)-N,N-dimethylaniline
10557
Reference
4-(5-{[(1S,4S,5S)-5-Isopropyl-2-methyl-4-{[(3-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-3-ylmethylamino)methyl]cyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazol-2-yl]aniline
ID: Reference10557
Other Names: NAT28-412616
Formula: C28H37N5O
Spectral Data
4-(5-{[(1S,4S,5S)-5-Isopropyl-2-methyl-4-{[(3-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 | 2628 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/18/2021 7:23:13 AM |
Identificators
| InChI | InChI=1S/C28H37N5O/c1-19(2)26-14-23(20(3)13-24(26)18-30-17-21-7-6-12-29-16-21)15-27-31-32-28(34-27)22-8-10-25(11-9-22)33(4)5/h6-13,16,19,23-24,26,30H,14-15,17-18H2,1-5H3/t23-,24-,26-/m0/s1 |
| InChI Key | KZRVUFDDQRPEFU-GNKBHMEESA-N |
| Canonical SMILES | CC1=CC(C(CC1CC2=NN=C(O2)C3=CC=C(C=C3)N(C)C)C(C)C)CNCC4=CN=CC=C4 |
| CAS | |
| Splash | |
| Other Names | NAT28-412616 |