3-[{[(1S,4S,6S)-6-Isopropyl-4-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl}-3-methyl-2-cyclohexen-1-yl]methyl}(methyl)amino]propanenitrile

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Systematic / IUPAC Name: 3-[[(1S,4S,6S)-4-[[5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl-methylamino]propanenitrile

ID: Reference10548

Other Names: Propanenitrile, 3-[[[(1S,4S,6S)-4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-(1-methylethyl)-2-cyclohexen-1-yl]methyl]methylamino]-;
NAT28-412269

Formula: C25H34N4O2

Spectral Data

3-[{[(1S,4S,6S)-6-Isopropyl-4-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl}-3-methyl-2-cyclohexen-1-yl]methyl}(methyl)amino]propanenitrile 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 1775
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/11/2021 10:44:55 AM
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Identificators

InChI InChI=1S/C25H34N4O2/c1-17(2)23-14-20(18(3)13-21(23)16-29(4)12-6-11-26)15-24-27-28-25(31-24)19-7-9-22(30-5)10-8-19/h7-10,13,17,20-21,23H,6,12,14-16H2,1-5H3/t20-,21-,23-/m0/s1
InChI Key MDTAKWQDZNHLQI-FUDKSRODSA-N
Canonical SMILES CC1=CC(C(CC1CC2=NN=C(O2)C3=CC=C(C=C3)OC)C(C)C)CN(C)CCC#N
CAS
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Other Names Propanenitrile, 3-[[[(1S,4S,6S)-4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-6-(1-methylethyl)-2-cyclohexen-1-yl]methyl]methylamino]-;
NAT28-412269

In Other Databases

ChemSpider 22937498
PubChem 38030827