The effects of adenine, salicylaldoxime and 4(5)-methylimidazole on brass corrosion in NaCl were investigated. The investigation comprised electrochemical techniques, scanning electron microscopy and quantum chemical calculation. The results obtained by polarization measurements show that the examined compounds successfully inhibited the corrosion of brass. Additionally, the quantum mechanical calculations indicate that there is a correlation between energy gap and inhibition efficiency. Moreover, the inhibition mechanism includes the adsorption of the inhibitor on active sites on the electrode surface, which was confirmed by SEM-EDS analysis of the brass.