Spectrum MoNA001442 for MMV008439

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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/C23H32N2O3/c1-17-12-18(6-8-21(17)27-5)14-25-10-11-28-22-9-7-20(13-19(22)15-25)23(2,26)16-24(3)4/h6-9,12-13,26H,10-11,14-16H2,1-5H3/t23-/m0/s1
JJFCZQQGKHAVJN-QHCPKHFHSA-N
C23H32N2O3
384.24129288399996
OC(C1=CC=C2OCCN(CC3=CC=C(OC)C(=C3)C)CC2=C1)(C)CN(C)C

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QFT
Thermo Q Exactive HF
HCD (NCE 20-30-40%)
C23H32N2O3
384.241
384.52
pathogen_box_qe_rp_pos_proton_sept_2018_dinesh_barupal.msp
positive
1.1385716248685291
0.3739737998843291
385.248429441977
[M+H]+
2.1633885027354394 ppm
-8.334420229516581E-4 Da