CID 729446

102873-09-6

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₂S

SMILES

C1CC(=NC1)NS(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C10H13N3O2S/c11-8-3-5-9(6-4-8)16(14,15)13-10-2-1-7-12-10/h3-6H,1-2,7,11H2,(H,12,13)

InChIKey

LBAXXVMCDDENJT-UHFFFAOYSA-N

Compound name

4-amino-N-(3,4-dihydro-2H-pyrrol-5-yl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 239.07285 Da
Monoisotopic Mass: 0.0
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]+	240.080126	150.5
[M+Na]+	262.062068	158.2
[M-H]-	238.065574	155.9
[M+NH4]+	257.106673	168.2
[M+K]+	278.036008	154.4
[M+H-H2O]+	222.070110	143.5
[M+HCOO]-	284.071051	169.8
[M+CH3COO]-	298.086701	189.2
[M+Na-2H]-	260.047516	154.4
[M]+	239.07230142	149.2
[M]-	239.07339858	149.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.