Systematic / IUPAC Name: 1-[(1S,4S,6S)-4-[(5-tert-Butyl-1,3,4-oxadiazol-2-yl)methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]-N-(pyridin-3-ylmethyl)methanamine
ID: Reference10917
Other Names:
3-Pyridinemethanamine, N-[[(1S,4S,6S)-4-[[5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-(1-methylethyl)-2-cyclohexen-1-yl]methyl]-;
NAT28-414632
Formula: C24H36N4O
1-[(1S,4S,6S)-6-Isopropyl-3-methyl-4-{[5-(2-methyl-2-propanyl)-1,3,4-oxadiazol-2-yl]methyl}-2-cyclohexen-1-yl]-N-(3-pyridinylmethyl)methanamine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
No. of Spectral Trees | 1 |
No. of Spectra | 2378 |
Tandem Spectra | MS1, MS2, MS3, MS4 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 10/4/2021 12:50:30 PM |
InChI | InChI=1S/C24H36N4O/c1-16(2)21-11-19(12-22-27-28-23(29-22)24(4,5)6)17(3)10-20(21)15-26-14-18-8-7-9-25-13-18/h7-10,13,16,19-21,26H,11-12,14-15H2,1-6H3/t19-,20-,21-/m0/s1 |
InChI Key | MGJVBLWNXOIENF-ACRUOGEOSA-N |
Canonical SMILES | CC1=CC(C(CC1CC2=NN=C(O2)C(C)(C)C)C(C)C)CNCC3=CN=CC=C3 |
CAS | |
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Other Names |
3-Pyridinemethanamine, N-[[(1S,4S,6S)-4-[[5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-(1-methylethyl)-2-cyclohexen-1-yl]methyl]-; NAT28-414632 |