N-(4-Fluorobenzyl)-2-[(1S,4S,5S)-5-isopropyl-4-{[(methoxyacetyl)amino]methyl}-2-methyl-2-cyclohexen-1-yl]acetamide

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Systematic / IUPAC Name: N-[(4-Fluorophenyl)methyl]-2-[(1S,4S,5S)-4-[[(2-methoxyacetyl)amino]methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]acetamide

ID: Reference13000

Other Names: NAT28-403792

Formula: C23H33FN2O3

Spectral Data

N-(4-Fluorobenzyl)-2-[(1S,4S,5S)-5-isopropyl-4-{[(methoxyacetyl)amino]methyl}-2-methyl-2-cyclohexen-1-yl]acetamide 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 1518
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/8/2024 10:53:07 AM
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Identificators

InChI InChI=1S/C23H33FN2O3/c1-15(2)21-10-18(16(3)9-19(21)13-26-23(28)14-29-4)11-22(27)25-12-17-5-7-20(24)8-6-17/h5-9,15,18-19,21H,10-14H2,1-4H3,(H,25,27)(H,26,28)/t18-,19-,21-/m0/s1
InChI Key BWLGNSVQECVVTQ-ZJOUEHCJSA-N
Canonical SMILES CC1=CC(C(CC1CC(=O)NCC2=CC=C(C=C2)F)C(C)C)CNC(=O)COC
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Other Names NAT28-403792

In Other Databases

PubChem 38027577
ChemSpider 22937045