(1R,9S)-11-[(Dimethylamino)acetyl]-5-[4-(methylsulfanyl)phenyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

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Systematic / IUPAC Name: (1R,9S)-11-[2-(Dimethylamino)acetyl]-5-(4-methylsulfanylphenyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

ID: Reference9939

Other Names: 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 3-[2-(dimethylamino)acetyl]-1,2,3,4,5,6-hexahydro-9-[4-(methylthio)phenyl]-, (1R,5S)-;
NAT11-284775

Formula: C22H27N3O2S

Spectral Data

(1R,9S)-11-[(Dimethylamino)acetyl]-5-[4-(methylsulfanyl)phenyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one 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 245
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 9/17/2020 10:14:54 AM
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Identificators

InChI InChI=1S/C22H27N3O2S/c1-23(2)14-21(26)24-11-15-10-17(13-24)20-9-8-19(22(27)25(20)12-15)16-4-6-18(28-3)7-5-16/h4-9,15,17H,10-14H2,1-3H3/t15-,17+/m0/s1
InChI Key WNCRLZPYGNCMFA-DOTOQJQBSA-N
Canonical SMILES CN(C)CC(=O)N1CC2CC(C1)C3=CC=C(C(=O)N3C2)C4=CC=C(C=C4)SC
CAS
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Other Names 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 3-[2-(dimethylamino)acetyl]-1,2,3,4,5,6-hexahydro-9-[4-(methylthio)phenyl]-, (1R,5S)-;
NAT11-284775

In Other Databases

PubChem 7143829
ChemSpider 5484732