Systematic / IUPAC Name: [1-[[(1S,4S,6S)-3-Methyl-6-propan-2-yl-4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]cyclohex-2-en-1-yl]methyl]piperidin-4-yl]methanol
ID: Reference10591
Other Names: NAT28-411335
Formula: C25H36N4O2
(1-{[(1S,4S,6S)-6-Isopropyl-3-methyl-4-{[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]methyl}-2-cyclohexen-1-yl]methyl}-4-piperidinyl)methanol 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 | 1885 |
Tandem Spectra | MS1, MS2, MS3, MS4 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 6/24/2021 12:05:51 PM |
InChI | InChI=1S/C25H36N4O2/c1-17(2)23-12-21(13-24-27-28-25(31-24)20-5-4-8-26-14-20)18(3)11-22(23)15-29-9-6-19(16-30)7-10-29/h4-5,8,11,14,17,19,21-23,30H,6-7,9-10,12-13,15-16H2,1-3H3/t21-,22-,23-/m0/s1 |
InChI Key | AYEOUGRRWIBUHQ-VABKMULXSA-N |
Canonical SMILES | CC1=CC(C(CC1CC2=NN=C(O2)C3=CN=CC=C3)C(C)C)CN4CCC(CC4)CO |
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Other Names | NAT28-411335 |