2-[(1S,4S,5S)-4-(Hydroxymethyl)-5-isopropyl-2-methyl-2-cyclohexen-1-yl]-1-[4-(2-methoxyphenyl)-1-piperazinyl]ethanone

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Systematic / IUPAC Name: 2-[(1S,4S,5S)-4-(Hydroxymethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone

ID: Reference10317

Other Names: Ethanone, 2-[(1S,4S,5S)-4-(hydroxymethyl)-2-methyl-5-(1-methylethyl)-2-cyclohexen-1-yl]-1-[4-(2-methoxyphenyl)-1-piperazinyl]-;
NAT28-410062

Formula: C24H36N2O3

Spectral Data

2-[(1S,4S,5S)-4-(Hydroxymethyl)-5-isopropyl-2-methyl-2-cyclohexen-1-yl]-1-[4-(2-methoxyphenyl)-1-piperazinyl]ethanone 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 1084
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 3/26/2021 4:31:35 PM
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Identificators

InChI InChI=1S/C24H36N2O3/c1-17(2)21-14-19(18(3)13-20(21)16-27)15-24(28)26-11-9-25(10-12-26)22-7-5-6-8-23(22)29-4/h5-8,13,17,19-21,27H,9-12,14-16H2,1-4H3/t19-,20-,21-/m0/s1
InChI Key CDFMKBMDNQNXAC-ACRUOGEOSA-N
Canonical SMILES CC1=CC(C(CC1CC(=O)N2CCN(CC2)C3=CC=CC=C3OC)C(C)C)CO
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Other Names Ethanone, 2-[(1S,4S,5S)-4-(hydroxymethyl)-2-methyl-5-(1-methylethyl)-2-cyclohexen-1-yl]-1-[4-(2-methoxyphenyl)-1-piperazinyl]-;
NAT28-410062

In Other Databases

ChemSpider 22937393
PubChem 38030122