1-[(1S,4S,6S)-4-({5-[(4-Fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl}methyl)-6-isopropyl-3-methyl-2-cyclohexen-1-yl]-N-(3-pyridinylmethyl)methanamine

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Systematic / IUPAC Name: 1-[(1S,4S,6S)-4-[[5-[(4-Fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]-N-(pyridin-3-ylmethyl)methanamine

ID: Reference11846

Other Names: NAT28-413400

Formula: C27H33FN4O2

Spectral Data

1-[(1S,4S,6S)-4-({5-[(4-Fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl}methyl)-6-isopropyl-3-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.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 2970
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/14/2022 10:25:12 AM
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Identificators

InChI InChI=1S/C27H33FN4O2/c1-18(2)25-12-21(19(3)11-22(25)16-30-15-20-5-4-10-29-14-20)13-26-31-32-27(34-26)17-33-24-8-6-23(28)7-9-24/h4-11,14,18,21-22,25,30H,12-13,15-17H2,1-3H3/t21-,22-,25-/m0/s1
InChI Key NBDLCJRRQOQVHN-HWBMXIPRSA-N
Canonical SMILES CC1=CC(C(CC1CC2=NN=C(O2)COC3=CC=C(C=C3)F)C(C)C)CNCC4=CN=CC=C4
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Other Names NAT28-413400

In Other Databases

PubChem 45784038
ChemSpider 29849420