CID 5355

Sulpiride

Structural Information

Molecular Formula

C₁₅H₂₃N₃O₄S

SMILES

CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC

InChI

InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)

InChIKey

BGRJTUBHPOOWDU-UHFFFAOYSA-N

Compound name

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 4839
References: 78348
Patents: 341.14093 Da
Monoisotopic Mass: 0.6
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]+	342.14821	178.7
[M+Na]+	364.13015	184.1
[M-H]-	340.13365	183.4
[M+NH4]+	359.17475	192.2
[M+K]+	380.10409	180.7
[M+H-H2O]+	324.13819	171.2
[M+HCOO]-	386.13913	194.3
[M+CH3COO]-	400.15478	211.6
[M+Na-2H]-	362.11560	177.7
[M]+	341.14038	180.0
[M]-	341.14148	180.0

Literature stripe

literature stripe

Patent stripe

patents stripe