CID 516668

86552-09-2

Structural Information

Molecular Formula

C₁₄H₁₆N₂O₂S

SMILES

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

InChI

InChI=1S/C14H16N2O2S/c1-16(2)12-5-9-14(10-6-12)19(17,18)13-7-3-11(15)4-8-13/h3-10H,15H2,1-2H3

InChIKey

BAFBTALEMBECSK-UHFFFAOYSA-N

Compound name

4-[4-(dimethylamino)phenyl]sulfonylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 276.09326 Da
Monoisotopic Mass: 2.0
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]+	277.10054	161.1
[M+Na]+	299.08248	168.8
[M-H]-	275.08598	169.1
[M+NH4]+	294.12708	177.5
[M+K]+	315.05642	165.1
[M+H-H2O]+	259.09052	153.4
[M+HCOO]-	321.09146	181.2
[M+CH3COO]-	335.10711	203.6
[M+Na-2H]-	297.06793	164.9
[M]+	276.09271	162.8
[M]-	276.09381	162.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.