N-({(1S,4S,6S)-4-[2-(4-Acetyl-1-piperazinyl)-2-oxoethyl]-6-isopropyl-3-methyl-2-cyclohexen-1-yl}methyl)-5-pyrimidinecarboxamide

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Systematic / IUPAC Name: N-[[(1S,4S,6S)-4-[2-(4-Acetylpiperazin-1-yl)-2-oxoethyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methyl]pyrimidine-5-carboxamide

ID: Reference11531

Other Names: NAT28-402076

Formula: C24H35N5O3

Spectral Data

N-({(1S,4S,6S)-4-[2-(4-Acetyl-1-piperazinyl)-2-oxoethyl]-6-isopropyl-3-methyl-2-cyclohexen-1-yl}methyl)-5-pyrimidinecarboxamide 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 2591
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 7/6/2022 1:16:11 PM
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Identificators

InChI InChI=1S/C24H35N5O3/c1-16(2)22-10-19(11-23(31)29-7-5-28(6-8-29)18(4)30)17(3)9-20(22)14-27-24(32)21-12-25-15-26-13-21/h9,12-13,15-16,19-20,22H,5-8,10-11,14H2,1-4H3,(H,27,32)/t19-,20-,22-/m0/s1
InChI Key NNPYXSFKBUPJPL-ONTIZHBOSA-N
Canonical SMILES CC1=CC(C(CC1CC(=O)N2CCN(CC2)C(=O)C)C(C)C)CNC(=O)C3=CN=CN=C3
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Other Names NAT28-402076

In Other Databases

ChemSpider 22936952
PubChem 38026916