N-[(1R,9S)-6-Oxo-11-(3-phenylpropyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]cyclohexanecarboxamide

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Systematic / IUPAC Name: N-[(1R,9S)-6-Oxo-11-(3-phenylpropyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]cyclohexanecarboxamide

ID: Reference11186

Other Names: NAT11-275475

Formula: C27H35N3O2

Spectral Data

N-[(1R,9S)-6-Oxo-11-(3-phenylpropyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]cyclohexanecarboxamide 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 1
No. of Spectra 1595
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/4/2022 10:08:35 AM
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Identificators

InChI InChI=1S/C27H35N3O2/c31-26(22-11-5-2-6-12-22)28-24-13-14-25-23-16-21(18-30(25)27(24)32)17-29(19-23)15-7-10-20-8-3-1-4-9-20/h1,3-4,8-9,13-14,21-23H,2,5-7,10-12,15-19H2,(H,28,31)/t21-,23+/m0/s1
InChI Key PJBBIXVEFBSANT-JTHBVZDNSA-N
Canonical SMILES C1CCC(CC1)C(=O)NC2=CC=C3C4CC(CN(C4)CCCC5=CC=CC=C5)CN3C2=O
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Other Names NAT11-275475

In Other Databases

ChemSpider 5484486
PubChem 7142800