N-[(1R,9R)-6-Oxo-11-(phenylsulfonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-pyrazinecarboxamide

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Systematic / IUPAC Name: N-[(1R,9R)-11-(Benzenesulfonyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]pyrazine-2-carboxamide

ID: Reference9981

Other Names: 2-Pyrazinecarboxamide, N-[(1R,5R)-1,3,4,5,6,8-hexahydro-8-oxo-3-(phenylsulfonyl)-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-;
NAT11-276205

Formula: C22H21N5O4S

Spectral Data

N-[(1R,9R)-6-Oxo-11-(phenylsulfonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-pyrazinecarboxamide 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 2495
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 10/16/2020 7:40:05 AM
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Identificators

InChI InChI=1S/C22H21N5O4S/c28-21(19-11-23-8-9-24-19)25-18-6-7-20-16-10-15(13-27(20)22(18)29)12-26(14-16)32(30,31)17-4-2-1-3-5-17/h1-9,11,15-16H,10,12-14H2,(H,25,28)/t15-,16+/m0/s1
InChI Key FPDFKPJJHCEOGL-JKSUJKDBSA-N
Canonical SMILES C1C2CN(CC1C3=CC=C(C(=O)N3C2)NC(=O)C4=NC=CN=C4)S(=O)(=O)C5=CC=CC=C5
CAS
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Other Names 2-Pyrazinecarboxamide, N-[(1R,5R)-1,3,4,5,6,8-hexahydro-8-oxo-3-(phenylsulfonyl)-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-;
NAT11-276205

In Other Databases

ChemSpider 5484521
PubChem 7142869