Spectrum MoNA001325 for MMV676571

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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/C24H20FN3O4/c1-30-20-11-8-17(14-21(20)31-2)24-27-23(28-32-24)16-4-3-5-19(13-16)26-22(29)12-15-6-9-18(25)10-7-15/h3-11,13-14H,12H2,1-2H3,(H,26,29)
LEBBRAAJXFVDFT-UHFFFAOYSA-N
C24H20FN3O4
433.14378434
FC1=CC=C(C=C1)CC(O)=NC2=CC=CC(=C2)C3=NOC(=N3)C=4C=CC(OC)=C(OC)C4

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QFT
Thermo Q Exactive HF
HCD (NCE 20-30-40%)
C24H20N3O4F
433.144
433.43
pathogen_box_qe_rp_pos_proton_sept_2018_dinesh_barupal.msp
positive
0.5525518044222987
0.2399701996262891
434.150658243975
[M+H]+
2.524690459921587 ppm
-0.001096096025037241 Da