{(2R,4S,5R)-5-[6-(4-Fluorophenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl}methyl isopropylcarbamate

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Systematic / IUPAC Name: [(2R,4S,5R)-5-[6-(4-Fluorophenyl)-2-methylpyrimidin-4-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl N-propan-2-ylcarbamate

ID: Reference9319

Other Names: Carbamic acid, N-(1-methylethyl)-, [(2R,4S,5R)-5-[6-(4-fluorophenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl ester;
NAT13-340155

Formula: C23H29FN4O2

Spectral Data

{(2R,4S,5R)-5-[6-(4-Fluorophenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl}methyl isopropylcarbamate 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 1344
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 1/24/2020 11:45:16 AM
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Identificators

InChI InChI=1S/C23H29FN4O2/c1-14(2)25-23(29)30-13-19-10-17-8-9-28(19)12-20(17)22-11-21(26-15(3)27-22)16-4-6-18(24)7-5-16/h4-7,11,14,17,19-20H,8-10,12-13H2,1-3H3,(H,25,29)/t17-,19+,20-/m0/s1
InChI Key YHDPFZJFCYHTBP-SXLOBPIMSA-N
Canonical SMILES CC1=NC(=CC(=N1)C2CN3CCC2CC3COC(=O)NC(C)C)C4=CC=C(C=C4)F
CAS
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Other Names Carbamic acid, N-(1-methylethyl)-, [(2R,4S,5R)-5-[6-(4-fluorophenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl ester;
NAT13-340155

In Other Databases

PubChem 40776885
ChemSpider 21381790