Spectrum KO009264 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
KO009264
2011.12.05 (Created 2008.05.12)
Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
CC BY-NC-SA
407.1643
LC/MSD Trap XCT, Agilent Technologies
LC-ESI-IT
MS3
0.70/0.40
LC/MSD Trap Control and Data Analysis
positive
408/141
[M+H]+
0.6618504804606122
0.954848405970503
141.0
[M+H]+
1894838.8186382977 ppm
-267.172273428 Da