(9S,11S)-N-Cyclopentyl-9-(2-methylpropyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-11-carboxamide

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Systematic / IUPAC Name: (9S,11S)-N-Cyclopentyl-9-(2-methylpropyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-11-carboxamide

ID: Reference10168

Other Names: NAT33-474975

Formula: C21H29N3O

Spectral Data

(9S,11S)-N-Cyclopentyl-9-(2-methylpropyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-11-carboxamide 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 4447
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 1/7/2021 2:38:46 PM
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Identificators

InChI InChI=1S/C21H29N3O/c1-13(2)10-18-16-8-5-9-17-20(16)14(12-22-17)11-19(24-18)21(25)23-15-6-3-4-7-15/h5,8-9,12-13,15,18-19,22,24H,3-4,6-7,10-11H2,1-2H3,(H,23,25)/t18-,19-/m0/s1
InChI Key MSFPAGSWBSSYEM-OALUTQOASA-N
Canonical SMILES CC(C)CC1C2=C3C(=CNC3=CC=C2)CC(N1)C(=O)NC4CCCC4
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Other Names NAT33-474975

In Other Databases

PubChem 51137956