CID 3831399

3-amino-n-(2,5-dichlorophenyl)-4-(diethylamino)benzene-1-sulfonamide

Structural Information

Molecular Formula

C₁₆H₁₉Cl₂N₃O₂S

SMILES

CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)Cl)Cl)N

InChI

InChI=1S/C16H19Cl2N3O2S/c1-3-21(4-2)16-8-6-12(10-14(16)19)24(22,23)20-15-9-11(17)5-7-13(15)18/h5-10,20H,3-4,19H2,1-2H3

InChIKey

PIYFJXVVZQBVGX-UHFFFAOYSA-N

Compound name

3-amino-N-(2,5-dichlorophenyl)-4-(diethylamino)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 387.0575 Da
Monoisotopic Mass: 3.9
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]+	388.064776	187.1
[M+Na]+	410.046718	195.4
[M-H]-	386.050224	194.6
[M+NH4]+	405.091323	200.5
[M+K]+	426.020658	188.8
[M+H-H2O]+	370.054760	180.9
[M+HCOO]-	432.055701	197.9
[M+CH3COO]-	446.071351	224.7
[M+Na-2H]-	408.032166	188.0
[M]+	387.05695142	193.0
[M]-	387.05804858	193.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.