Spectrum MoNA001651 for MMV146306

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
InChI=1S/C23H28N2O2/c1-3-17(2)24-21(26)18-11-13-20(14-12-18)25-22(27)23(15-7-8-16-23)19-9-5-4-6-10-19/h4-6,9-14,17H,3,7-8,15-16H2,1-2H3,(H,24,26)(H,25,27)/t17-/m0/s1
RKXASYGJLKILOC-KRWDZBQOSA-N
C23H28N2O2
364.215078136
O=C(NC(C)CC)C1=CC=C(C=C1)NC(=O)C2(C=3C=CC=CC3)CCCC2

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QFT
Thermo Q Exactive HF
HCD (NCE 20-30-40%)
C23H28N2O2
364.215
364.49
pathogen_box_qe_rp_pos_proton_sept_2018_dinesh_barupal.msp
positive
1.4353240400653946
0.49658803790351663
365.222338539589
[M+H]+
1.9429162352198712 ppm
-7.095964110135355E-4 Da