CID 9429

Thioproperazine

Structural Information

Molecular Formula

C₂₂H₃₀N₄O₂S₂

SMILES

CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C

InChI

InChI=1S/C22H30N4O2S2/c1-23(2)30(27,28)18-9-10-22-20(17-18)26(19-7-4-5-8-21(19)29-22)12-6-11-25-15-13-24(3)14-16-25/h4-5,7-10,17H,6,11-16H2,1-3H3

InChIKey

VZYCZNZBPPHOFY-UHFFFAOYSA-N

Compound name

N,N-dimethyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine-2-sulfonamide

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 144
References: 5251
Patents: 446.18103 Da
Monoisotopic Mass: 3.7
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]+	447.188306	201.6
[M+Na]+	469.170248	206.7
[M-H]-	445.173754	204.6
[M+NH4]+	464.214853	209.4
[M+K]+	485.144188	200.2
[M+H-H2O]+	429.178290	192.1
[M+HCOO]-	491.179231	203.7
[M+CH3COO]-	505.194881	207.6
[M+Na-2H]-	467.155696	203.8
[M]+	446.18048142	203.0
[M]-	446.18157858	203.0

Literature stripe

literature stripe

Patent stripe

patents stripe