Spectrum MoNA001583 for MMV676182

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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/C22H24N6/c23-21-20-19(12-17-6-3-5-16-4-1-2-7-18(16)17)27-28(22(20)26-14-25-21)13-15-8-10-24-11-9-15/h1-7,14-15,24H,8-13H2,(H2,23,25,26)
MMRLNUFECMEMSQ-UHFFFAOYSA-N
C22H24N6
372.206244768
N=1C=NC2=C(C1N)C(=NN2CC3CCNCC3)CC4=CC=CC=5C=CC=CC54

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QFT
Thermo Q Exactive HF
HCD (NCE 20-30-40%)
C22H24N6
372.206
372.47
pathogen_box_qe_rp_pos_proton_sept_2018_dinesh_barupal.msp
positive
1.2096966352849308
0.504482680710739
373.21330083343
[M+H]+
2.4488263625921145 ppm
-9.139345699509249E-4 Da