Spectrum MoNA001458 for MMV687730

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/C22H32N4O2/c1-2-3-13-28-22(27)25-19-14-17-18(15-20(19)26-11-7-8-12-26)24-21(23-17)16-9-5-4-6-10-16/h14-16H,2-13H2,1H3,(H,23,24)(H,25,27)
MMGPENLTZQKVBO-UHFFFAOYSA-N
C22H32N4O2
384.252526264
OC(=NC1=CC=2N=C(NC2C=C1N3CCCC3)C4CCCCC4)OCCCC

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QFT
Thermo Q Exactive HF
HCD (NCE 20-30-40%)
C22H32N4O2
384.253
384.52
pathogen_box_qe_rp_pos_proton_sept_2018_dinesh_barupal.msp
positive
0.8293808032344407
0.3062649292457254
385.259766202112
[M+H]+
1.8949860639768565 ppm
-7.300618879639842E-4 Da