CID 169490

7-hydroxyfluphenazine

Structural Information

Molecular Formula

C₂₂H₂₆F₃N₃O₂S

SMILES

C1CN(CCN1CCCN2C3=C(C=C(C=C3)O)SC4=C2C=C(C=C4)C(F)(F)F)CCO

InChI

InChI=1S/C22H26F3N3O2S/c23-22(24,25)16-2-5-20-19(14-16)28(18-4-3-17(30)15-21(18)31-20)7-1-6-26-8-10-27(11-9-26)12-13-29/h2-5,14-15,29-30H,1,6-13H2

InChIKey

XVCSDQAFEIGVBC-UHFFFAOYSA-N

Compound name

10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-8-(trifluoromethyl)phenothiazin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 453.16977 Da
Monoisotopic Mass: 4.0
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	206.4
[M+Na]+	476.158988	212.1
[M-H]-	452.162494	202.5
[M+NH4]+	471.203593	212.3
[M+K]+	492.132928	203.4
[M+H-H2O]+	436.167030	194.1
[M+HCOO]-	498.167971	205.5
[M+CH3COO]-	512.183621	210.5
[M+Na-2H]-	474.144436	205.6
[M]+	453.16922142	201.5
[M]-	453.17031858	201.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.