4-(Dimethylamino)-N-{[(2R,4S,5S)-5-{[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl}-1-azabicyclo[2.2.2]oct-2-yl]methyl}benzamide

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Systematic / IUPAC Name: 4-(Dimethylamino)-N-[[(2R,4S,5S)-5-[[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]benzamide

ID: Reference11908

Other Names: NAT13-339567

Formula: C29H39N5O2

Spectral Data

4-(Dimethylamino)-N-{[(2R,4S,5S)-5-{[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl}-1-azabicyclo[2.2.2]oct-2-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 1
No. of Spectra 2312
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 11/2/2022 9:36:20 AM
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Identificators

InChI InChI=1S/C29H39N5O2/c1-31(2)25-8-6-21(7-9-25)29(36)30-14-26-13-22-10-11-33(26)19-24(22)18-32-15-20-12-23(17-32)27-4-3-5-28(35)34(27)16-20/h3-9,20,22-24,26H,10-19H2,1-2H3,(H,30,36)/t20-,22-,23+,24-,26+/m0/s1
InChI Key ASVJAWCTJGRONQ-NCDPBEIOSA-N
Canonical SMILES CN(C)C1=CC=C(C=C1)C(=O)NCC2CC3CCN2CC3CN4CC5CC(C4)C6=CC=CC(=O)N6C5
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Other Names NAT13-339567

In Other Databases

ChemSpider 21381493
PubChem 44716382