Metabolite Fluphenazine sulfoxide

Name

Fluphenazine sulfoxide

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

7V73CQS9VA

CAS number

1674-76-6

Weight

Average: 453.52
Monoisotopic: 453.169782752

Chemical Formula

C₂₂H₂₆F₃N₃O₂S

InChI Key

UFPPOFUTIWYLNR-UHFFFAOYSA-N

InChI

InChI=1S/C22H26F3N3O2S/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)31(21)30)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2

IUPAC Name

10-{3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl}-2-(trifluoromethyl)-10H-5lambda4-phenothiazin-5-one

SMILES

OCCN1CCN(CCCN2C3=CC(=CC=C3S(=O)C3=C2C=CC=C3)C(F)(F)F)CC1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0udi-0000900000-490c0f0307af35b68914
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0udi-0000900000-32266b95e906815290d8
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0ue9-0000900000-2d1189ebc843e508c9c8
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0uk9-0402900000-19e4df9f39fba575954b
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-004i-3527900000-1ac2ffd889e239e92a47
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001i-2394200000-c56d13af10586d4c1f79

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	200.51727	predicted	DeepCCS 1.0 (2019)
[M+H]+	202.87526	predicted	DeepCCS 1.0 (2019)
[M+Na]+	209.52449	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties