(1R,9R)-N-Cyclohexyl-5-[4-(methylsulfanyl)phenyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide

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Systematic / IUPAC Name: (1R,9R)-N-Cyclohexyl-5-(4-methylsulfanylphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide

ID: Reference9726

Other Names: 1,5-Methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide, N-cyclohexyl-1,5,6,8-tetrahydro-9-[4-(methylthio)phenyl]-8-oxo-, (1R,5R)-;
NAT11-284788

Formula: C25H31N3O2S

Spectral Data

(1R,9R)-N-Cyclohexyl-5-[4-(methylsulfanyl)phenyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide 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 1555
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 5/29/2020 9:51:43 AM
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Identificators

InChI InChI=1S/C25H31N3O2S/c1-31-21-9-7-18(8-10-21)22-11-12-23-19-13-17(15-28(23)24(22)29)14-27(16-19)25(30)26-20-5-3-2-4-6-20/h7-12,17,19-20H,2-6,13-16H2,1H3,(H,26,30)/t17-,19+/m0/s1
InChI Key LSEBSJDFUIFFMR-PKOBYXMFSA-N
Canonical SMILES CSC1=CC=C(C=C1)C2=CC=C3C4CC(CN(C4)C(=O)NC5CCCCC5)CN3C2=O
CAS
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Other Names 1,5-Methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide, N-cyclohexyl-1,5,6,8-tetrahydro-9-[4-(methylthio)phenyl]-8-oxo-, (1R,5R)-;
NAT11-284788

In Other Databases

ChemSpider 10059544
PubChem 11885216