5-Fluoro MDMB-PICA

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Systematic / IUPAC Name: Methyl (2S)-2-{[1-(5-fluoropentyl)indole-3-carbonyl]amino}-3,3-dimethylbutanoate

ID: Reference7502

Other Names: N-{[1-(5-fluoropentyl)-1H-indol-3-yl]carbonyl}-3-methyl-L-valine, methyl ester

Formula: C21H29FN2O3

Spectral Data

5-Fluoro MDMB-PICA 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 3/9/2018 12:14:01 PM
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Identificators

InChI InChI=1S/C21H29FN2O3/c1-21(2,3)18(20(26)27-4)23-19(25)16-14-24(13-9-5-8-12-22)17-11-7-6-10-15(16)17/h6-7,10-11,14,18H,5,8-9,12-13H2,1-4H3,(H,23,25)/t18-/m1/s1
InChI Key CHSUEEBESACQDV-GOSISDBHSA-N
Canonical SMILES CC(C)(C)C(C(=O)OC)NC(=O)C1=CN(C2=CC=CC=C21)CCCCCF
CAS 1971007881
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Other Names N-{[1-(5-fluoropentyl)-1H-indol-3-yl]carbonyl}-3-methyl-L-valine, methyl ester

In Other Databases

PubChem 129597835