Spectrum CCMSLIB00000078475 for Clozapine (Clozaril)

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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
5786-21-0
C18H19ClN4
326.129824288
ClC1=CC=C2NC=3C=CC=CC3C(=NC2=C1)N4CCN(C)CC4
InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
QZUDBNBUXVUHMW-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
qTof
326.13
1
Plate7_41_60_GD4_01_15769.mzXML
MS2
GNPS-SELLECKCHEM-FDA-PART2
negarg, Garg_Neha, Dorrestein
positive
3.058482858463472
0.6831031448367617
327.137
[M+H]+
2.4279980558869574 ppm
-7.942880000086916E-4 Da