Spectrum MoNA001435 for MMV675997

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/C24H29FN4O2/c25-22-8-10-23(11-9-22)28-18-16-27(17-19-28)13-4-5-14-29(15-12-26)24(30)31-20-21-6-2-1-3-7-21/h1-3,6-11H,4-5,13-20H2
UQOCJNOTNWYZQR-UHFFFAOYSA-N
C24H29FN4O2
424.227454388
N#CCN(C(=O)OCC=1C=CC=CC1)CCCCN2CCN(C3=CC=C(F)C=C3)CC2

Mass Spectral Metadata

NameValue
HCD (NCE 20-30-40%)
C24H29N4O2F
424.227
MS2
LC-ESI-QFT
Thermo Q Exactive HF
424.51
pathogen_box_qe_rp_pos_proton_sept_2018_dinesh_barupal.msp
positive
2.1309585291710564
0.5946552999351913
425.234687183464
[M+H]+
1.7336415824334914 ppm
-7.372045359943513E-4 Da