CID 202967

Aniline, 4,4'-thiobis(n,n-dimethyl-

Structural Information

Molecular Formula

C₁₆H₂₀N₂S

SMILES

CN(C)C1=CC=C(C=C1)SC2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C16H20N2S/c1-17(2)13-5-9-15(10-6-13)19-16-11-7-14(8-12-16)18(3)4/h5-12H,1-4H3

InChIKey

XSNYTMIJXPCSKC-UHFFFAOYSA-N

Compound name

4-[4-(dimethylamino)phenyl]sulfanyl-N,N-dimethylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 272.1347 Da
Monoisotopic Mass: 4.3
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]+	273.14198	163.1
[M+Na]+	295.12392	176.6
[M+NH4]+	290.16852	173.2
[M+K]+	311.09786	166.6
[M-H]-	271.12742	170.5
[M+Na-2H]-	293.10937	173.1
[M]+	272.13415	167.8
[M]-	272.13525	167.8

Literature stripe

literature stripe

Patent stripe

patents stripe