Spectrum KO004234 for Trifluoperazine

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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/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3
ZEWQUBUPAILYHI-UHFFFAOYSA-N
C21H24F3N3S
407.164303428
FC(F)(F)C1=CC=C2SC=3C=CC=CC3N(C2=C1)CCCN4CCN(C)CC4

Mass Spectral Metadata

NameValue
KO004234
2016.01.19 (Created 2007.07.07, modified 2011.05.10)
Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
CC BY-NC-SA
KEIO_ID T122
407.1643
API3000, Applied Biosystems
LC-ESI-QQ
MS2
40 V
positive
1.9090930835745337
0.3897826718615149
408
[M+H]+
422.23879411760464 ppm
-0.1722734279999827 Da