N-[(1R,9S)-11-(1-Acetyl-4-piperidinyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]-2-pyrazinecarboxamide

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Systematic / IUPAC Name: N-[(1R,9S)-11-(1-Acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]pyrazine-2-carboxamide

ID: Reference9968

Other Names: 2-Pyrazinecarboxamide, N-[(1R,5S)-3-(1-acetyl-4-piperidinyl)-1,3,4,5,6,8-hexahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-11-yl]-;
NAT11-326857

Formula: C23H28N6O3

Spectral Data

N-[(1R,9S)-11-(1-Acetyl-4-piperidinyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-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 3351
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 10/1/2020 11:20:08 AM
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Identificators

InChI InChI=1S/C23H28N6O3/c1-15(30)27-8-4-18(5-9-27)28-12-16-10-17(14-28)22-19(2-3-21(31)29(22)13-16)26-23(32)20-11-24-6-7-25-20/h2-3,6-7,11,16-18H,4-5,8-10,12-14H2,1H3,(H,26,32)/t16-,17+/m0/s1
InChI Key QMSPLPAIYWRCTD-DLBZAZTESA-N
Canonical SMILES CC(=O)N1CCC(CC1)N2CC3CC(C2)C4=C(C=CC(=O)N4C3)NC(=O)C5=NC=CN=C5
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Other Names 2-Pyrazinecarboxamide, N-[(1R,5S)-3-(1-acetyl-4-piperidinyl)-1,3,4,5,6,8-hexahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-11-yl]-;
NAT11-326857

In Other Databases

ChemSpider 7707870
PubChem 9424622