CID 9884876

Uk-390957

Structural Information

Molecular Formula

C₁₆H₂₀N₂O₃S₂

SMILES

CN(C)CC1=C(C=CC(=C1)S(=O)(=O)N)OC2=CC=C(C=C2)SC

InChI

InChI=1S/C16H20N2O3S2/c1-18(2)11-12-10-15(23(17,19)20)8-9-16(12)21-13-4-6-14(22-3)7-5-13/h4-10H,11H2,1-3H3,(H2,17,19,20)

InChIKey

VCNSPGHSQPMCFF-UHFFFAOYSA-N

Compound name

3-[(dimethylamino)methyl]-4-(4-methylsulfanylphenoxy)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 99
Patents: 352.09152 Da
Monoisotopic Mass: 2.4
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]+	353.09880	179.4
[M+Na]+	375.08074	186.3
[M-H]-	351.08424	186.4
[M+NH4]+	370.12534	192.8
[M+K]+	391.05468	181.0
[M+H-H2O]+	335.08878	171.1
[M+HCOO]-	397.08972	193.1
[M+CH3COO]-	411.10537	217.0
[M+Na-2H]-	373.06619	180.6
[M]+	352.09097	184.1
[M]-	352.09207	184.1

Literature stripe

literature stripe

Patent stripe

patents stripe