CID 5357

Sultopride

Structural Information

Molecular Formula

C₁₇H₂₆N₂O₄S

SMILES

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

InChI

InChI=1S/C17H26N2O4S/c1-4-19-10-6-7-13(19)12-18-17(20)15-11-14(24(21,22)5-2)8-9-16(15)23-3/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,18,20)

InChIKey

UNRHXEPDKXPRTM-UHFFFAOYSA-N

Compound name

N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 879
References: 1953
Patents: 354.16132 Da
Monoisotopic Mass: 1.6
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]+	355.16860	184.1
[M+Na]+	377.15054	189.6
[M-H]-	353.15404	189.2
[M+NH4]+	372.19514	197.8
[M+K]+	393.12448	186.2
[M+H-H2O]+	337.15858	176.7
[M+HCOO]-	399.15952	198.7
[M+CH3COO]-	413.17517	212.8
[M+Na-2H]-	375.13599	182.3
[M]+	354.16077	187.9
[M]-	354.16187	187.9

Literature stripe

literature stripe

Patent stripe

patents stripe