Systematic / IUPAC Name: 1-[(1S,4S,6S)-3-Methyl-4-[[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]-N-(pyridin-3-ylmethyl)methanamine
ID: Reference10531
Other Names:
3-Pyridinemethanamine, N-[[(1S,4S,6S)-3-methyl-6-(1-methylethyl)-4-[[5-(1-methyl-1H-imidazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-cyclohexen-1-yl]methyl]-;
NAT28-414408
Formula: C24H32N6O
1-[(1S,4S,6S)-6-Isopropyl-3-methyl-4-{[5-(1-methyl-1H-imidazol-5-yl)-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 | 2650 |
Tandem Spectra | MS1, MS2, MS3, MS4 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 6/7/2021 10:14:59 AM |
InChI | InChI=1S/C24H32N6O/c1-16(2)21-9-19(10-23-28-29-24(31-23)22-14-27-15-30(22)4)17(3)8-20(21)13-26-12-18-6-5-7-25-11-18/h5-8,11,14-16,19-21,26H,9-10,12-13H2,1-4H3/t19-,20-,21-/m0/s1 |
InChI Key | YKDOCRYUPUTPTB-ACRUOGEOSA-N |
Canonical SMILES | CC1=CC(C(CC1CC2=NN=C(O2)C3=CN=CN3C)C(C)C)CNCC4=CN=CC=C4 |
CAS | |
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Other Names |
3-Pyridinemethanamine, N-[[(1S,4S,6S)-3-methyl-6-(1-methylethyl)-4-[[5-(1-methyl-1H-imidazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-cyclohexen-1-yl]methyl]-; NAT28-414408 |