Spectrum WA001266 for Loprazolam

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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/C23H21ClN6O3/c1-27-8-10-28(11-9-27)14-19-23(31)29-20-7-6-15(30(32)33)12-17(20)22(25-13-21(29)26-19)16-4-2-3-5-18(16)24/h2-7,12,14H,8-11,13H2,1H3/b19-14+
UTEFBSAVJNEPTR-XMHGGMMESA-N
C23H21ClN6O3
464.13636621200004
O=C1C(N=C2N1C=3C=CC(=CC3C(=NC2)C=4C=CC=CC4Cl)N(=O)=O)=CN5CCN(C)CC5

Mass Spectral Metadata

NameValue
Nihon Waters K.K.
CC BY-NC
WA001266
2016.01.19 (Created 2007.08.01, modified 2011.05.06)
464.13637
ZQ, Waters
LC-ESI-Q
MS1
ESI
13.400 min
2.1 mm id - 3. 5{mu}m XTerra C18MS
35 C
60 V
ignore rel.int. < 5
positive
2.571089798915842
0.6641581751170443