5-Fluoro AMB metabolite 2

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Systematic / IUPAC Name: Methyl (2S)-2-{[1-(5-hydroxypentyl)indazole-3-carbonyl]amino}-3-methylbutanoate

ID: Reference7320

Other Names: N-{[1-(5-hydroxypentyl)-1H-indazol-3-yl]carbonyl}-L-valine, methyl ester ;
AMB metabolite 2 ;
AMB N-(5-hydroxypentyl) metabolite ;
?5-Fluoro AMB N-(5-hydroxypentyl) metabolite

Formula: C19H27N3O4

Class: Drugs of Abuse/Illegal Drugs

Spectral Data

5-Fluoro AMB metabolite 2 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 Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/5/2018 8:38:09 AM
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Identificators

InChI InChI=1S/C19H27N3O4/c1-13(2)16(19(25)26-3)20-18(24)17-14-9-5-6-10-15(14)22(21-17)11-7-4-8-12-23/h5-6,9-10,13,16,23H,4,7-8,11-12H2,1-3H3,(H,20,24)/t16-/m0/s1
InChI Key HYDHCGXHDBEZCS-INIZCTEOSA-N
Canonical SMILES CC(C)C(C(=O)OC)NC(=O)C1=NN(C2=CC=CC=C21)CCCCCO
CAS 1890250142
Splash
Other Names N-{[1-(5-hydroxypentyl)-1H-indazol-3-yl]carbonyl}-L-valine, methyl ester ;
AMB metabolite 2 ;
AMB N-(5-hydroxypentyl) metabolite ;
?5-Fluoro AMB N-(5-hydroxypentyl) metabolite

In Other Databases

PubChem 129532601