CID 127505884

N-benzyl(cyclopropylamino)sulfonamide

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂S

SMILES

C1CC1NS(=O)(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C10H14N2O2S/c13-15(14,12-10-6-7-10)11-8-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2

InChIKey

QTDZJSXITMGJJK-UHFFFAOYSA-N

Compound name

N-(benzylsulfamoyl)cyclopropanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 226.0776 Da
Monoisotopic Mass: 1.1
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]+	227.084876	141.7
[M+Na]+	249.066818	149.5
[M-H]-	225.070324	148.9
[M+NH4]+	244.111423	154.7
[M+K]+	265.040758	145.3
[M+H-H2O]+	209.074860	134.9
[M+HCOO]-	271.075801	162.5
[M+CH3COO]-	285.091451	192.2
[M+Na-2H]-	247.052266	148.6
[M]+	226.07705142	144.7
[M]-	226.07814858	144.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.