CID 219111

Glypinamide

Structural Information

Molecular Formula

C₁₃H₁₈ClN₃O₃S

SMILES

C1CCCN(CC1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H18ClN3O3S/c14-11-5-7-12(8-6-11)21(19,20)16-13(18)15-17-9-3-1-2-4-10-17/h5-8H,1-4,9-10H2,(H2,15,16,18)

InChIKey

RHQSNARBXHRBNP-UHFFFAOYSA-N

Compound name

1-(azepan-1-yl)-3-(4-chlorophenyl)sulfonylurea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2368
Patents: 331.07574 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]+	332.083016	173.0
[M+Na]+	354.064958	176.2
[M-H]-	330.068464	178.2
[M+NH4]+	349.109563	184.7
[M+K]+	370.038898	177.3
[M+H-H2O]+	314.073000	164.9
[M+HCOO]-	376.073941	182.8
[M+CH3COO]-	390.089591	205.4
[M+Na-2H]-	352.050406	175.1
[M]+	331.07519142	168.7
[M]-	331.07628858	168.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe