Spectrum FiehnHILIC000704 for Prazepam

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
MWQCHHACWWAQLJ-UHFFFAOYSA-N
C19H17ClN2O
324.102940844
O=C1N(C=2C=CC(Cl)=CC2C(=NC1)C=3C=CC=CC3)CC4CC4
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

Mass Spectral Metadata

NameValue
M + 0
positive
HCD (NCE 20-30-40%)
109
1.0742
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)
1.1558921614354016
0.3335199778210558
325.1097
[M+H]+
3.7244167123077747 ppm
-0.001210844000013367 Da