3-Fluoro-N-({(1S,4S,6S)-6-isopropyl-3-methyl-4-[2-oxo-2-(2-propyn-1-ylamino)ethyl]-2-cyclohexen-1-yl}methyl)benzamide

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Systematic / IUPAC Name: 3-Fluoro-N-[[(1S,4S,6S)-3-methyl-4-[2-oxo-2-(prop-2-ynylamino)ethyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]benzamide

ID: Reference10413

Other Names: Benzamide, 3-fluoro-N-[[(1S,4S,6S)-3-methyl-6-(1-methylethyl)-4-[2-oxo-2-(2-propyn-1-ylamino)ethyl]-2-cyclohexen-1-yl]methyl]-;
NAT28-405997

Formula: C23H29FN2O2

Spectral Data

3-Fluoro-N-({(1S,4S,6S)-6-isopropyl-3-methyl-4-[2-oxo-2-(2-propyn-1-ylamino)ethyl]-2-cyclohexen-1-yl}methyl)benzamide 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 2
No. of Spectra 3695
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 4/30/2021 11:23:36 AM
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Identificators

InChI InChI=1S/C23H29FN2O2/c1-5-9-25-22(27)13-18-12-21(15(2)3)19(10-16(18)4)14-26-23(28)17-7-6-8-20(24)11-17/h1,6-8,10-11,15,18-19,21H,9,12-14H2,2-4H3,(H,25,27)(H,26,28)/t18-,19-,21-/m0/s1
InChI Key AVKZYNKVOKYOIB-ZJOUEHCJSA-N
Canonical SMILES CC1=CC(C(CC1CC(=O)NCC#C)C(C)C)CNC(=O)C2=CC(=CC=C2)F
CAS
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Other Names Benzamide, 3-fluoro-N-[[(1S,4S,6S)-3-methyl-6-(1-methylethyl)-4-[2-oxo-2-(2-propyn-1-ylamino)ethyl]-2-cyclohexen-1-yl]methyl]-;
NAT28-405997

In Other Databases

PubChem 38028701
ChemSpider 22937198