Spectrum MoNA001348 for MMV688350

Rating: (*)★(*)★(*)★(*)★(*)☆

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/C24H20FN3O4S/c1-32-24(29)22-11-10-20(25)13-23(22)27-33(30,31)21-9-5-8-18(12-21)19-14-26-28(16-19)15-17-6-3-2-4-7-17/h2-14,16,27H,15H2,1H3
BKVNVQAJGRLKBT-UHFFFAOYSA-N
C24H20FN3O4S
465.11585534000005
O=C(OC)C1=CC=C(F)C=C1NS(=O)(=O)C2=CC=CC(=C2)C=3C=NN(C3)CC=4C=CC=CC4

Mass Spectral Metadata

NameValue
[M+H]+
1.8316344572672398 ppm
-8.537668960570954E-4 Da
MS2
LC-ESI-QFT
Thermo Q Exactive HF
HCD (NCE 20-30-40%)
C24H20N3O4FS
465.116
465.5
pathogen_box_qe_rp_pos_proton_sept_2018_dinesh_barupal.msp
positive
0.7515739428728868
0.22319807371243225
466.122971573104