Spectrum MoNA001406 for MMV560185

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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/C19H19N3/c1-6-12-22(13-7-1)19-14-18(17-10-4-5-11-20-17)21-16-9-3-2-8-15(16)19/h2-5,8-11,14H,1,6-7,12-13H2
USOJNBCSEBSXNR-UHFFFAOYSA-N
C19H19N3
289.15789760800004
N=1C=CC=CC1C=2N=C3C=CC=CC3=C(C2)N4CCCCC4

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QFT
Thermo Q Exactive HF
HCD (NCE 20-30-40%)
C19H19N3
289.158
289.38
pathogen_box_qe_rp_pos_proton_sept_2018_dinesh_barupal.msp
positive
0.0996132420253252
0.05119107995489141
290.165172745529
[M+H]+
2.3947135504773804 ppm
-6.948624710503282E-4 Da