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

ID: Reference8856

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-(5-pyrimidinyl)-, (1R,5S)-;
NAT11-285015

Formula: C19H23N5O2

Spectral Data

(1R,9S)-11-[(Dimethylamino)acetyl]-5-(5-pyrimidinyl)-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 150
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 4/2/2024 8:15:33 AM
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Identificators

InChI InChI=1S/C19H23N5O2/c1-22(2)11-18(25)23-8-13-5-14(10-23)17-4-3-16(19(26)24(17)9-13)15-6-20-12-21-7-15/h3-4,6-7,12-14H,5,8-11H2,1-2H3/t13-,14+/m0/s1
InChI Key WYRDDJXHVWGYKV-UONOGXRCSA-N
Canonical SMILES CN(C)CC(=O)N1CC2CC(C1)C3=CC=C(C(=O)N3C2)C4=CN=CN=C4
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-(5-pyrimidinyl)-, (1R,5S)-;
NAT11-285015

In Other Databases

PubChem 7143899
ChemSpider 5484748