N-{[(1S,4S,6S)-4-{[5-(2-Fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl}-6-isopropyl-3-methyl-2-cyclohexen-1-yl]methyl}-2-propanamine
10626
Reference
N-{[(1S,4S,6S)-4-{[5-(2-Fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl}-6-isopropyl-3-methyl-2-cyclohexen-1-yl]methyl}-2-propanamine Structure
Systematic / IUPAC Name: N-[[(1S,4S,6S)-4-[[5-(2-Fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]propan-2-amine
ID: Reference10626
Other Names: NAT28-414496
Formula: C23H32FN3O
Spectral Data
N-{[(1S,4S,6S)-4-{[5-(2-Fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl}-6-isopropyl-3-methyl-2-cyclohexen-1-yl]methyl}-2-propanamine 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 | 1405 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 7/2/2021 7:26:47 AM |
Identificators
| InChI | InChI=1S/C23H32FN3O/c1-14(2)20-11-17(16(5)10-18(20)13-25-15(3)4)12-22-26-27-23(28-22)19-8-6-7-9-21(19)24/h6-10,14-15,17-18,20,25H,11-13H2,1-5H3/t17-,18-,20-/m0/s1 |
| InChI Key | RQUCUSBQWHKKJK-BJLQDIEVSA-N |
| Canonical SMILES | CC1=CC(C(CC1CC2=NN=C(O2)C3=CC=CC=C3F)C(C)C)CNC(C)C |
| CAS | |
| Splash | |
| Other Names | NAT28-414496 |