Spectrum KO004233 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
FC(F)(F)C1=CC=C2SC=3C=CC=CC3N(C2=C1)CCCN4CCN(C)CC4
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
407.16430342800004

Mass Spectral Metadata

NameValue
KO004233
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
30 V
positive
1.6237054956511783
0.354930727488794
408
[M+H]+
422.23879411774396 ppm
-0.17227342800003953 Da