CID 5467

Tiapride

Structural Information

Molecular Formula

C₁₅H₂₄N₂O₄S

SMILES

CCN(CC)CCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)C)OC

InChI

InChI=1S/C15H24N2O4S/c1-5-17(6-2)10-9-16-15(18)13-11-12(22(4,19)20)7-8-14(13)21-3/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18)

InChIKey

JTVPZMFULRWINT-UHFFFAOYSA-N

Compound name

N-[2-(diethylamino)ethyl]-2-methoxy-5-methylsulfonylbenzamide

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 158
References: 4880
Patents: 328.1457 Da
Monoisotopic Mass: 0.9
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]+	329.15298	177.2
[M+Na]+	351.13492	185.0
[M+NH4]+	346.17952	182.2
[M+K]+	367.10886	179.1
[M-H]-	327.13842	177.6
[M+Na-2H]-	349.12037	180.3
[M]+	328.14515	178.5
[M]-	328.14625	178.5

Literature stripe

literature stripe

Patent stripe

patents stripe