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

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Systematic / IUPAC Name: 2-[(4-Fluorophenoxy)methyl]-5-[[(1S,4S,5S)-2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-5-propan-2-ylcyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazole

ID: Reference12188

Other Names: NAT28-413391

Formula: C26H37FN4O2

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]methyl}-4-methylpiperazine 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 1992
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 1/27/2023 9:22:43 AM
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Identificators

InChI InChI=1S/C26H37FN4O2/c1-18(2)24-14-20(19(3)13-21(24)16-31-11-9-30(4)10-12-31)15-25-28-29-26(33-25)17-32-23-7-5-22(27)6-8-23/h5-8,13,18,20-21,24H,9-12,14-17H2,1-4H3/t20-,21-,24-/m0/s1
InChI Key CFCXNSHFGNLJON-HFMPRLQTSA-N
Canonical SMILES CC1=CC(C(CC1CC2=NN=C(O2)COC3=CC=C(C=C3)F)C(C)C)CN4CCN(CC4)C
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Other Names NAT28-413391

In Other Databases

PubChem 45784037
ChemSpider 29849419