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

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Systematic / IUPAC Name: 1-Ethyl-3-[[(1S,4S,6S)-3-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]urea

ID: Reference10621

Other Names: Urea, N-ethyl-N'-[[(1S,4S,6S)-3-methyl-6-(1-methylethyl)-4-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-2-cyclohexen-1-yl]methyl]-;
NAT28-405021

Formula: C21H38N4O2

Spectral Data

1-Ethyl-3-({(1S,4S,6S)-6-isopropyl-3-methyl-4-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-2-cyclohexen-1-yl}methyl)urea 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 1050
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 7/2/2021 7:13:09 AM
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Identificators

InChI InChI=1S/C21H38N4O2/c1-6-22-21(27)23-14-18-11-16(4)17(12-19(18)15(2)3)13-20(26)25-9-7-24(5)8-10-25/h11,15,17-19H,6-10,12-14H2,1-5H3,(H2,22,23,27)/t17-,18-,19-/m0/s1
InChI Key PNSAWJFEOWROMW-FHWLQOOXSA-N
Canonical SMILES CCNC(=O)NCC1C=C(C(CC1C(C)C)CC(=O)N2CCN(CC2)C)C
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Other Names Urea, N-ethyl-N'-[[(1S,4S,6S)-3-methyl-6-(1-methylethyl)-4-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-2-cyclohexen-1-yl]methyl]-;
NAT28-405021

In Other Databases

PubChem 38027918
ChemSpider 22937094