Spectrum CCMSLIB00000078400 for Fenticonazole nitrate

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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
73151-29-8
C24H21Cl2N3O4S
517.062982512
O=[N+]([O-])O.ClC1=CC=C(C(Cl)=C1)C(OCC2=CC=C(SC=3C=CC=CC3)C=C2)CN4C=NC=C4
InChI=1S/C24H20Cl2N2OS.HNO3/c25-19-8-11-22(23(26)14-19)24(15-28-13-12-27-17-28)29-16-18-6-9-21(10-7-18)30-20-4-2-1-3-5-20;2-1(3)4/h1-14,17,24H,15-16H2;(H,2,3,4)
FJNRUWDGCVDXLU-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
qTof
454.067
1
Plate6_21_40_GD8_01_15775.mzXML
MS2
GNPS-SELLECKCHEM-FDA-PART2
negarg, Garg_Neha, Dorrestein
positive
3.1993919967835205
0.4695704133285518
455.075
[M+H]+
138429.82478053062 ppm
-62.995952511999974 Da