Spectrum MoNA001499 for MMV687273

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/C22H38N2/c1-16(2)5-4-6-17(3)7-8-23-9-10-24-22-20-12-18-11-19(14-20)15-21(22)13-18/h5,7,18-24H,4,6,8-15H2,1-3H3/b17-7-
JFIBVDBTCDTBRH-IDUWFGFVSA-N
C22H38N2
330.303499216
C(=C(C)C)CCC(=CCNCCNC1C2CC3CC(C2)CC1C3)C

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QFT
Thermo Q Exactive HF
HCD (NCE 20-30-40%)
C22H38N2
330.303
330.55
pathogen_box_qe_rp_pos_proton_sept_2018_dinesh_barupal.msp
positive
1.7845315248314957
0.5773235249139529
331.310656176267
[M+H]+
2.4540102101108507 ppm
-8.130397329750849E-4 Da