Spectrum MoNA001668 for MMV688550

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/C23H27N5O4/c1-7-15-10-8-9-11-16(15)27-14(4)12-26-18-19(24-22(26)27)25(5)23(31)28(20(18)29)17(13(2)3)21(30)32-6/h8-13,17H,7H2,1-6H3/t17-/m0/s1
WZTHYPKDVIMHHT-KRWDZBQOSA-N
C23H27N5O4
437.206304344
O=C(OC)C(N1C(=O)C2=C(N=C3N2C=C(N3C=4C=CC=CC4CC)C)N(C1=O)C)C(C)C

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QFT
Thermo Q Exactive HF
HCD (NCE 20-30-40%)
C23H27N5O4
437.206
437.49
pathogen_box_qe_rp_pos_proton_sept_2018_dinesh_barupal.msp
positive
1.7070822263833285
0.6025251257426864
438.213313528673
[M+H]+
2.192574477640159 ppm
-9.608153270050934E-4 Da