CID 3038478

Isosulpride

Structural Information

Molecular Formula

C₁₅H₂₃N₃O₄S

SMILES

CCN1CCCC1CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N)OC

InChI

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

InChIKey

VJIIYEHOXLPKBX-UHFFFAOYSA-N

Compound name

2-(1-ethylpyrrolidin-2-yl)-N-(2-methoxy-5-sulfamoylphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 34
Patents: 341.14093 Da
Monoisotopic Mass: 0.5
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]+	342.148206	178.7
[M+Na]+	364.130148	184.1
[M-H]-	340.133654	183.4
[M+NH4]+	359.174753	192.2
[M+K]+	380.104088	180.7
[M+H-H2O]+	324.138190	171.2
[M+HCOO]-	386.139131	194.3
[M+CH3COO]-	400.154781	211.6
[M+Na-2H]-	362.115596	177.7
[M]+	341.14038142	180.0
[M]-	341.14147858	180.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe