Spectrum WA002009 for Triflupromazine (oxide)

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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/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3
XSCGXQMFQXDFCW-UHFFFAOYSA-N
C18H19F3N2S
352.12210426799993
FC(F)(F)C1=CC=C2SC=3C=CC=CC3N(C2=C1)CCCN(C)C

Mass Spectral Metadata

NameValue
WA002009
2016.01.19 (Created 2007.08.01, modified 2011.05.06)
Nihon Waters K.K.
CC BY-NC
352.1221
ZQ, Waters
LC-ESI-Q
MS1
ESI
15.650 min
2.1 mm id - 3. 5{mu}m XTerra C18MS
35 C
90 V
ignore rel.int. < 5
positive
2.3011392756292017
0.6639684442690141