CID 19394

Diapamide

Structural Information

Molecular Formula

C₉H₁₁ClN₂O₃S

SMILES

CNC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)NC

InChI

InChI=1S/C9H11ClN2O3S/c1-11-9(13)6-3-4-7(10)8(5-6)16(14,15)12-2/h3-5,12H,1-2H3,(H,11,13)

InChIKey

REQFWARMBJWJAQ-UHFFFAOYSA-N

Compound name

4-chloro-N-methyl-3-(methylsulfamoyl)benzamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 528
Patents: 262.01788 Da
Monoisotopic Mass: 0.8
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]+	263.025156	152.8
[M+Na]+	285.007098	161.5
[M-H]-	261.010604	157.2
[M+NH4]+	280.051703	170.5
[M+K]+	300.981038	157.1
[M+H-H2O]+	245.015140	147.8
[M+HCOO]-	307.016081	168.0
[M+CH3COO]-	321.031731	195.3
[M+Na-2H]-	282.992546	156.6
[M]+	262.01733142	156.9
[M]-	262.01842858	156.9

Literature stripe

literature stripe

Patent stripe

patents stripe