Spectrum WA001302 for Clobazam

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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
C16H13ClN2O2
InChI=1S/C16H13ClN2O2/c1-18-13-8-7-11(17)9-14(13)19(16(21)10-15(18)20)12-5-3-2-4-6-12/h2-9H,10H2,1H3
CXOXHMZGEKVPMT-UHFFFAOYSA-N
300.06655533599996
O=C1N(C=2C=CC=CC2)C3=CC(Cl)=CC=C3N(C(=O)C1)C

Mass Spectral Metadata

NameValue
WA001302
2016.01.19 (Created 2007.08.01, modified 2011.05.06)
Nihon Waters K.K.
CC BY-NC
300.06656
ZQ, Waters
LC-ESI-Q
MS1
ESI
16.400 min
2.1 mm id - 3. 5{mu}m XTerra C18MS
35 C
90 V
ignore rel.int. < 5
positive
3.220778995046672
0.7898833644950195