(4S,6S)-1-(Cyclopropylmethyl)-6-isobutyl-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indole-4-carboxylic acid

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

ID: Reference10078

Other Names: 1H-Azepino[5,4,3-cd]indole-4-carboxylic acid, 1-(cyclopropylmethyl)-3,4,5,6-tetrahydro-6-(2-methylpropyl)-, (4S,6S)-;
NAT33-501661

Formula: C20H26N2O2

Spectral Data

(4S,6S)-1-(Cyclopropylmethyl)-6-isobutyl-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indole-4-carboxylic 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 1
No. of Spectra 897
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 11/19/2020 10:06:06 AM
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Identificators

InChI InChI=1S/C20H26N2O2/c1-12(2)8-16-15-4-3-5-18-19(15)14(9-17(21-16)20(23)24)11-22(18)10-13-6-7-13/h3-5,11-13,16-17,21H,6-10H2,1-2H3,(H,23,24)/t16-,17-/m0/s1
InChI Key VFFGEXNQPVEMTB-IRXDYDNUSA-N
Canonical SMILES CC(C)CC1C2=C3C(=CN(C3=CC=C2)CC4CC4)CC(N1)C(=O)O
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Other Names 1H-Azepino[5,4,3-cd]indole-4-carboxylic acid, 1-(cyclopropylmethyl)-3,4,5,6-tetrahydro-6-(2-methylpropyl)-, (4S,6S)-;
NAT33-501661

In Other Databases

PubChem 51138170
ChemSpider 31014572