Spectrum FiehnHILIC000266 for Clobazam

Rating: (*)★(*)★(*)★(*)★(*)★
  • Originally submitted to the Fiehn Lab HILIC Library

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
CXOXHMZGEKVPMT-UHFFFAOYSA-N
C16H13ClN2O2
300.066555336
O=C1N(C=2C=CC=CC2)C3=CC(Cl)=CC=C3N(C(=O)C1)C
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

Mass Spectral Metadata

NameValue
M + 0
114
positive
HCD (NCE 20-30-40%)
1.095633
LC-ESI-QFT
Thermo Q Exactive HF
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
0.9461826807408931
0.31078196994613455
301.0733
[M+H]+
4.069892614205635 ppm
-0.0012253360000045177 Da