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

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

ID: Reference12104

Other Names: NAT28-413407

Formula: C29H37FN6O2

Spectral Data

2-(4-{[(1S,4S,6S)-4-({5-[(4-Fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl}methyl)-6-isopropyl-3-methyl-2-cyclohexen-1-yl]methyl}-1-piperazinyl)pyrimidine 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 2408
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 1/12/2023 8:24:44 AM
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Identificators

InChI InChI=1S/C29H37FN6O2/c1-20(2)26-16-22(17-27-33-34-28(38-27)19-37-25-7-5-24(30)6-8-25)21(3)15-23(26)18-35-11-13-36(14-12-35)29-31-9-4-10-32-29/h4-10,15,20,22-23,26H,11-14,16-19H2,1-3H3/t22-,23-,26-/m0/s1
InChI Key RUMMTFBHTDXVSF-FXSPECFOSA-N
Canonical SMILES CC1=CC(C(CC1CC2=NN=C(O2)COC3=CC=C(C=C3)F)C(C)C)CN4CCN(CC4)C5=NC=CC=N5
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Other Names NAT28-413407

In Other Databases

PubChem 45784039
ChemSpider 29849421