2-[(1S,4S,5S)-4-(Acetamidomethyl)-5-isopropyl-2-methyl-2-cyclohexen-1-yl]-N-(3-pyridinylmethyl)acetamide

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Systematic / IUPAC Name: 2-[(1S,4S,5S)-4-(Acetamidomethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]-N-(pyridin-3-ylmethyl)acetamide

ID: Reference11932

Other Names: NAT28-405732

Formula: C21H31N3O2

Spectral Data

2-[(1S,4S,5S)-4-(Acetamidomethyl)-5-isopropyl-2-methyl-2-cyclohexen-1-yl]-N-(3-pyridinylmethyl)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 2197
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 11/7/2022 1:02:12 PM
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Identificators

InChI InChI=1S/C21H31N3O2/c1-14(2)20-9-18(15(3)8-19(20)13-23-16(4)25)10-21(26)24-12-17-6-5-7-22-11-17/h5-8,11,14,18-20H,9-10,12-13H2,1-4H3,(H,23,25)(H,24,26)/t18-,19-,20-/m0/s1
InChI Key BMHURJIIXCZWID-UFYCRDLUSA-N
Canonical SMILES CC1=CC(C(CC1CC(=O)NCC2=CN=CC=C2)C(C)C)CNC(=O)C
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Other Names NAT28-405732

In Other Databases

ChEMBL CHEMBL3436963
PubChem 38028493
ChemSpider 22937170