(1R,9S)-11-(1-Acetyl-4-piperidinyl)-5-{2-[(dimethylamino)methyl]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-(1-Acetylpiperidin-4-yl)-5-[2-[(dimethylamino)methyl]phenyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

ID: Reference8855

Other Names: 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 3-(1-acetyl-4-piperidinyl)-9-[2-[(dimethylamino)methyl]phenyl]-1,2,3,4,5,6-hexahydro-, (1R,5S)-;
NAT11-304099

Formula: C27H36N4O2

Spectral Data

(1R,9S)-11-(1-Acetyl-4-piperidinyl)-5-{2-[(dimethylamino)methyl]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 FAIMS
No. of Spectral Trees 1
No. of Spectra 1526
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 8/16/2019 7:15:48 AM
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Identificators

InChI InChI=1S/C27H36N4O2/c1-19(32)29-12-10-23(11-13-29)30-15-20-14-22(18-30)26-9-8-25(27(33)31(26)16-20)24-7-5-4-6-21(24)17-28(2)3/h4-9,20,22-23H,10-18H2,1-3H3/t20-,22+/m0/s1
InChI Key QVHOHUDBAQYGMR-RBBKRZOGSA-N
Canonical SMILES CC(=O)N1CCC(CC1)N2CC3CC(C2)C4=CC=C(C(=O)N4C3)C5=CC=CC=C5CN(C)C
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Other Names 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 3-(1-acetyl-4-piperidinyl)-9-[2-[(dimethylamino)methyl]phenyl]-1,2,3,4,5,6-hexahydro-, (1R,5S)-;
NAT11-304099

In Other Databases

ChemSpider 5495940
PubChem 7156392