Spectrum CCMSLIB00005723985 for Chloroquine

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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
54-05-7
InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)
C18H26ClN3
319.181525512
ClC=1C=CC=2C(=NC=CC2NC(C)CCCN(CC)CC)C1
WHTVZRBIWZFKQO-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
qTof
319.181
1
f.amaraljg/standard/Cloroquina_1-13_01_11672.mzXML;
MS2
GNPS-LIBRARY
Norberto Peporine Lopes, amaraljg, Amaraljg
positive
2.115020459347281
0.5254250117363074
320.189
[M+H]+
1.5475609717583052 ppm
-4.9551199998632E-4 Da