CID 203438

77837-46-8

Structural Information

Molecular Formula

C₁₀H₁₇N₃O₂S

SMILES

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

InChI

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

InChIKey

HERALKCUSVEQOM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
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]+	244.11142	152.5
[M+Na]+	266.09336	158.6
[M-H]-	242.09686	156.9
[M+NH4]+	261.13796	169.8
[M+K]+	282.06730	156.2
[M+H-H2O]+	226.10140	145.3
[M+HCOO]-	288.10234	173.2
[M+CH3COO]-	302.11799	199.8
[M+Na-2H]-	264.07881	156.6
[M]+	243.10359	154.0
[M]-	243.10469	154.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe