Spectrum WA000701 for Prazepam

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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
InChI=1S/C19H17ClN2O/c20-15-8-9-17-16(10-15)19(14-4-2-1-3-5-14)21-11-18(23)22(17)12-13-6-7-13/h1-5,8-10,13H,6-7,11-12H2
MWQCHHACWWAQLJ-UHFFFAOYSA-N
C19H17ClN2O
324.102940844
O=C1N(C=2C=CC(Cl)=CC2C(=NC1)C=3C=CC=CC3)CC4CC4

Mass Spectral Metadata

NameValue
WA000701
2016.01.19 (Created 2007.08.01, modified 2011.05.06)
Nihon Waters K.K.
CC BY-NC
324.10294
ZQ, Waters
LC-ESI-Q
MS1
ESI
18.800 min
2.1 mm id - 3. 5{mu}m XTerra C18MS
35 C
30 V
ignore rel.int. < 5
positive
1.112722030099492
0.5718260067864328