CID 3036919

Fluphenazine sulfoxide

Structural Information

Molecular Formula

C₂₂H₂₆F₃N₃O₂S

SMILES

C1CN(CCN1CCCN2C3=CC=CC=C3S(=O)C4=C2C=C(C=C4)C(F)(F)F)CCO

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

InChIKey

UFPPOFUTIWYLNR-UHFFFAOYSA-N

Compound name

2-[4-[3-[5-oxo-2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 2
Patents: 453.16977 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	454.177046	207.2
[M+Na]+	476.158988	213.5
[M-H]-	452.162494	204.6
[M+NH4]+	471.203593	213.7
[M+K]+	492.132928	205.0
[M+H-H2O]+	436.167030	194.4
[M+HCOO]-	498.167971	207.8
[M+CH3COO]-	512.183621	211.8
[M+Na-2H]-	474.144436	206.4
[M]+	453.16922142	203.3
[M]-	453.17031858	203.3

Literature stripe

literature stripe

Patent stripe

patents stripe