Systematic / IUPAC Name: Methyl N-{[1-(4-fluorobenzyl)-1H-indazol-3-yl]carbonyl}valinate
ID: Reference6278
Other Names:
FUB-AMB;
Methyl [1-(4-fluorobenzyl)-1H-indazole-3-carbonyl]-DL-valinate ;
Valine, N-({1-[(4-fluorophenyl)methyl]-1H-indazol-3-yl}carbonyl), methyl ester ;
AMB-FUBINACA
Formula: C21H22FN3O3
Class: Drugs of Abuse/Illegal Drugs
MMB-FUBINACA mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
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 | 2/16/2017 10:07:34 AM |
InChI | InChI=1S/C21H22FN3O3/c1-13(2)18(21(27)28-3)23-20(26)19-16-6-4-5-7-17(16)25(24-19)12-14-8-10-15(22)11-9-14/h4-11,13,18H,12H2,1-3H3,(H,23,26) |
InChI Key | FRFFLYJQPCIIQB-UHFFFAOYSA-N |
Canonical SMILES | CC(C)C(C(=O)OC)NC(=O)C1=NN(C2=CC=CC=C21)CC3=CC=C(C=C3)F |
CAS | |
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Other Names |
FUB-AMB; Methyl [1-(4-fluorobenzyl)-1H-indazole-3-carbonyl]-DL-valinate ; Valine, N-({1-[(4-fluorophenyl)methyl]-1H-indazol-3-yl}carbonyl), methyl ester ; AMB-FUBINACA |