1-(4-Acetylphenyl)-3-({(2R,4S,5R)-5-[6-(2-furyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)urea

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Systematic / IUPAC Name: 1-(4-Acetylphenyl)-3-[[(2R,4S,5R)-5-[6-(furan-2-yl)-2-methylpyrimidin-4-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]urea

ID: Reference9943

Other Names: Urea, N-(4-acetylphenyl)-N'-[[(2R,4S,5R)-5-[6-(2-furanyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-342983

Formula: C26H29N5O3

Spectral Data

1-(4-Acetylphenyl)-3-({(2R,4S,5R)-5-[6-(2-furyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-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 2
No. of Spectra 3721
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 9/17/2020 10:18:07 AM
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Identificators

InChI InChI=1S/C26H29N5O3/c1-16(32)18-5-7-20(8-6-18)30-26(33)27-14-21-12-19-9-10-31(21)15-22(19)23-13-24(29-17(2)28-23)25-4-3-11-34-25/h3-8,11,13,19,21-22H,9-10,12,14-15H2,1-2H3,(H2,27,30,33)/t19-,21+,22-/m0/s1
InChI Key VEOVDGSQVHSJMK-NNWRFLSQSA-N
Canonical SMILES CC1=NC(=CC(=N1)C2CN3CCC2CC3CNC(=O)NC4=CC=C(C=C4)C(=O)C)C5=CC=CO5
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Other Names Urea, N-(4-acetylphenyl)-N'-[[(2R,4S,5R)-5-[6-(2-furanyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-342983

In Other Databases

PubChem 26742464
ChemSpider 21381996