Spectrum MoNA001476 for MMV676057

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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/C24H28N4O3/c1-24(2,3)31-23(29)28-15-13-27(14-16-28)22-17-21(25-26-22)18-9-11-20(12-10-18)30-19-7-5-4-6-8-19/h4-12,17H,13-16H2,1-3H3,(H,25,26)
OBTIKAOBUGEQKB-UHFFFAOYSA-N
C24H28N4O3
420.21614075599996
O=C(OC(C)(C)C)N1CCN(C2=NNC(=C2)C=3C=CC(OC=4C=CC=CC4)=CC3)CC1

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QFT
Thermo Q Exactive HF
HCD (NCE 20-30-40%)
C24H28N4O3
420.216
420.5
pathogen_box_qe_rp_pos_proton_sept_2018_dinesh_barupal.msp
positive
1.010229851886643
0.4065463996294713
421.223471437221
[M+H]+
1.5177662744431752 ppm
-6.393187789512922E-4 Da