4-[(1R,9S)-3-(3-Cyanophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-4-oxobutanoic acid

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Systematic / IUPAC Name: 4-[(1R,9S)-3-(3-Cyanophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-4-oxobutanoic acid

ID: Reference13225

Other Names: NAT11-289240

Formula: C22H21N3O4

Spectral Data

4-[(1R,9S)-3-(3-Cyanophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-4-oxobutanoic acid 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 2685
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 7/19/2024 7:50:41 AM
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Identificators

InChI InChI=1S/C22H21N3O4/c23-10-14-2-1-3-16(8-14)18-4-5-20(27)25-12-15-9-17(22(18)25)13-24(11-15)19(26)6-7-21(28)29/h1-5,8,15,17H,6-7,9,11-13H2,(H,28,29)/t15-,17+/m0/s1
InChI Key KWZJWPAWLAHDPJ-DOTOQJQBSA-N
Canonical SMILES C1C2CN(CC1C3=C(C=CC(=O)N3C2)C4=CC=CC(=C4)C#N)C(=O)CCC(=O)O
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Other Names NAT11-289240

In Other Databases

ChemSpider 5976919
PubChem 7662925