Spectrum MoNA001663 for MMV688939

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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/C19H18N4/c1-14-8-9-18-20-15(2)19(23(18)12-14)17-10-11-22(21-17)13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3
OORSNEDYAQMZLO-UHFFFAOYSA-N
C19H18N4
302.153146576
N1=C2C=CC(=CN2C(C3=NN(C=C3)CC=4C=CC=CC4)=C1C)C

Mass Spectral Metadata

NameValue
MS2
pathogen_box_qe_rp_pos_proton_sept_2018_dinesh_barupal.msp
positive
0.2243194851766465
LC-ESI-QFT
Thermo Q Exactive HF
HCD (NCE 20-30-40%)
C19H18N4
302.153
302.37
0.09027280167477691
303.160431178816
[M+H]+
2.2608398507709446 ppm
-6.853971839859696E-4 Da