CID 2755709

Benzylsulfamide

Structural Information

Molecular Formula

C₁₃H₁₄N₂O₂S

SMILES

C1=CC=C(C=C1)CNC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C13H14N2O2S/c14-18(16,17)13-8-6-12(7-9-13)15-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H2,14,16,17)

InChIKey

HLIBJQGJVDHCNB-UHFFFAOYSA-N

Compound name

4-(benzylamino)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 2391
Patents: 262.0776 Da
Monoisotopic Mass: 1.7
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]+	263.08488	156.3
[M+Na]+	285.06682	163.5
[M-H]-	261.07032	162.6
[M+NH4]+	280.11142	172.3
[M+K]+	301.04076	158.5
[M+H-H2O]+	245.07486	148.8
[M+HCOO]-	307.07580	176.4
[M+CH3COO]-	321.09145	196.1
[M+Na-2H]-	283.05227	161.9
[M]+	262.07705	156.0
[M]-	262.07815	156.0

Literature stripe

literature stripe

Patent stripe

patents stripe