[(1S,4S,6S)-4-{2-[4-(2-Hydroxyethyl)-1-piperazinyl]-2-oxoethyl}-6-isopropyl-3-methyl-2-cyclohexen-1-yl]acetonitrile

enlarge

Systematic / IUPAC Name: 2-[(1S,4S,6S)-4-[2-[4-(2-Hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]acetonitrile

ID: Reference12152

Other Names: NAT28-409883

Formula: C20H33N3O2

Spectral Data

[(1S,4S,6S)-4-{2-[4-(2-Hydroxyethyl)-1-piperazinyl]-2-oxoethyl}-6-isopropyl-3-methyl-2-cyclohexen-1-yl]acetonitrile mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 890
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 1/20/2023 7:48:03 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C20H33N3O2/c1-15(2)19-13-18(16(3)12-17(19)4-5-21)14-20(25)23-8-6-22(7-9-23)10-11-24/h12,15,17-19,24H,4,6-11,13-14H2,1-3H3/t17-,18+,19+/m1/s1
InChI Key ITEREEYPHAIAQL-QYZOEREBSA-N
Canonical SMILES CC1=CC(C(CC1CC(=O)N2CCN(CC2)CCO)C(C)C)CC#N
CAS
Splash
Other Names NAT28-409883

In Other Databases

PubChem 38029925
ChemSpider 22937365
ChEMBL CHEMBL3437518