CID 205101

Compound 22

Structural Information

Molecular Formula

C₂₀H₂₄N₂OS

SMILES

C1CN(CCC1O)CCCN2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C20H24N2OS/c23-16-10-14-21(15-11-16)12-5-13-22-17-6-1-3-8-19(17)24-20-9-4-2-7-18(20)22/h1-4,6-9,16,23H,5,10-15H2

InChIKey

DVOZVMGNANFGKF-UHFFFAOYSA-N

Compound name

1-(3-phenothiazin-10-ylpropyl)piperidin-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 340.16095 Da
Monoisotopic Mass: 3.8
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]+	341.168226	177.8
[M+Na]+	363.150168	183.0
[M-H]-	339.153674	180.3
[M+NH4]+	358.194773	190.1
[M+K]+	379.124108	175.9
[M+H-H2O]+	323.158210	168.3
[M+HCOO]-	385.159151	185.2
[M+CH3COO]-	399.174801	185.6
[M+Na-2H]-	361.135616	180.2
[M]+	340.16040142	174.8
[M]-	340.16149858	174.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe