CID 558813

Northioridazine

Structural Information

Molecular Formula

C₂₀H₂₄N₂S₂

SMILES

CSC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCC4CCCCN4

InChI

InChI=1S/C20H24N2S2/c1-23-16-9-10-20-18(14-16)22(13-11-15-6-4-5-12-21-15)17-7-2-3-8-19(17)24-20/h2-3,7-10,14-15,21H,4-6,11-13H2,1H3

InChIKey

UFDCSHQNNVQXAS-UHFFFAOYSA-N

Compound name

2-methylsulfanyl-10-(2-piperidin-2-ylethyl)phenothiazine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 88
Patents: 356.1381 Da
Monoisotopic Mass: 5.4
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]+	357.145376	175.1
[M+Na]+	379.127318	180.9
[M-H]-	355.130824	177.1
[M+NH4]+	374.171923	187.3
[M+K]+	395.101258	172.4
[M+H-H2O]+	339.135360	167.0
[M+HCOO]-	401.136301	177.5
[M+CH3COO]-	415.151951	182.6
[M+Na-2H]-	377.112766	176.7
[M]+	356.13755142	172.1
[M]-	356.13864858	172.1

Literature stripe

literature stripe

Patent stripe

patents stripe