CID 68920

Sulverapride

Structural Information

Molecular Formula

C₁₆H₂₅N₃O₅S

SMILES

CNS(=O)(=O)C1=CC(=C(C(=C1)OC)OC)C(=O)NCC2CCCN2C

InChI

InChI=1S/C16H25N3O5S/c1-17-25(21,22)12-8-13(15(24-4)14(9-12)23-3)16(20)18-10-11-6-5-7-19(11)2/h8-9,11,17H,5-7,10H2,1-4H3,(H,18,20)

InChIKey

SODOSTUXGWHQII-UHFFFAOYSA-N

Compound name

2,3-dimethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-5-(methylsulfamoyl)benzamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 50
Patents: 371.1515 Da
Monoisotopic Mass: 0.7
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]+	372.158776	185.2
[M+Na]+	394.140718	190.6
[M-H]-	370.144224	190.6
[M+NH4]+	389.185323	197.9
[M+K]+	410.114658	188.1
[M+H-H2O]+	354.148760	177.7
[M+HCOO]-	416.149701	201.2
[M+CH3COO]-	430.165351	218.7
[M+Na-2H]-	392.126166	184.5
[M]+	371.15095142	189.7
[M]-	371.15204858	189.7

Literature stripe

literature stripe

Patent stripe

patents stripe