1-{[(1S,4S,6S)-6-Isopropyl-3-methyl-4-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl}-2-cyclohexen-1-yl]methyl}-4-(2-methoxyethyl)piperazine

enlarge

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

ID: Reference12105

Other Names: NAT28-412996

Formula: C27H39N5O4

Spectral Data

1-{[(1S,4S,6S)-6-Isopropyl-3-methyl-4-{[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl}-2-cyclohexen-1-yl]methyl}-4-(2-methoxyethyl)piperazine 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 2150
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 1/12/2023 8:31:03 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C27H39N5O4/c1-19(2)25-16-22(17-26-28-29-27(36-26)21-5-7-24(8-6-21)32(33)34)20(3)15-23(25)18-31-11-9-30(10-12-31)13-14-35-4/h5-8,15,19,22-23,25H,9-14,16-18H2,1-4H3/t22-,23-,25-/m0/s1
InChI Key MCZGJBLURXPFBX-LSQMVHIFSA-N
Canonical SMILES CC1=CC(C(CC1CC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C(C)C)CN4CCN(CC4)CCOC
CAS
Splash
Other Names NAT28-412996

In Other Databases

PubChem 45783993
ChemSpider 29849404