CID 3018598

Sulmepride

Structural Information

Molecular Formula

C₁₄H₂₁N₃O₄S

SMILES

CN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC

InChI

InChI=1S/C14H21N3O4S/c1-17-7-3-4-10(17)9-16-14(18)12-8-11(22(15,19)20)5-6-13(12)21-2/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,16,18)(H2,15,19,20)

InChIKey

QCKAYJICSQJJCU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 36
Patents: 327.12527 Da
Monoisotopic Mass: 0.2
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]+	328.132546	174.5
[M+Na]+	350.114488	180.3
[M-H]-	326.117994	179.4
[M+NH4]+	345.159093	188.5
[M+K]+	366.088428	177.1
[M+H-H2O]+	310.122530	167.2
[M+HCOO]-	372.123471	190.4
[M+CH3COO]-	386.139121	208.6
[M+Na-2H]-	348.099936	173.9
[M]+	327.12472142	175.4
[M]-	327.12581858	175.4

Literature stripe

literature stripe

Patent stripe

patents stripe