4-[5-({(1S,4S,5S)-5-Isopropyl-2-methyl-4-[(2-propyn-1-ylamino)methyl]-2-cyclohexen-1-yl}methyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
12106
Reference
4-[5-({(1S,4S,5S)-5-Isopropyl-2-methyl-4-[(2-propyn-1-ylamino)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-[(prop-2-ynylamino)methyl]cyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazol-2-yl]aniline
ID: Reference12106
Other Names: NAT28-412621
Formula: C25H34N4O
Spectral Data
4-[5-({(1S,4S,5S)-5-Isopropyl-2-methyl-4-[(2-propyn-1-ylamino)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 | 1427 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 1/12/2023 8:33:11 AM |
Identificators
| InChI | InChI=1S/C25H34N4O/c1-7-12-26-16-21-13-18(4)20(14-23(21)17(2)3)15-24-27-28-25(30-24)19-8-10-22(11-9-19)29(5)6/h1,8-11,13,17,20-21,23,26H,12,14-16H2,2-6H3/t20-,21-,23-/m0/s1 |
| InChI Key | IPYIAAYRMFFFRH-FUDKSRODSA-N |
| Canonical SMILES | CC1=CC(C(CC1CC2=NN=C(O2)C3=CC=C(C=C3)N(C)C)C(C)C)CNCC#C |
| CAS | |
| Splash | |
| Other Names | NAT28-412621 |