CID 16790646

3-amino-n-[2-(dimethylamino)ethyl]benzene-1-sulfonamide

Structural Information

Molecular Formula

C₁₀H₁₇N₃O₂S

SMILES

CN(C)CCNS(=O)(=O)C1=CC=CC(=C1)N

InChI

InChI=1S/C10H17N3O2S/c1-13(2)7-6-12-16(14,15)10-5-3-4-9(11)8-10/h3-5,8,12H,6-7,11H2,1-2H3

InChIKey

YVGOHSSSSROEQY-UHFFFAOYSA-N

Compound name

3-amino-N-[2-(dimethylamino)ethyl]benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 243.10414 Da
Monoisotopic Mass: 0.2
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]+	244.111416	152.5
[M+Na]+	266.093358	158.6
[M-H]-	242.096864	156.9
[M+NH4]+	261.137963	169.8
[M+K]+	282.067298	156.2
[M+H-H2O]+	226.101400	145.3
[M+HCOO]-	288.102341	173.2
[M+CH3COO]-	302.117991	199.8
[M+Na-2H]-	264.078806	156.6
[M]+	243.10359142	154.0
[M]-	243.10468858	154.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe