CID 41027

54191-80-9

Structural Information

Molecular Formula

C₁₆H₁₇NS

SMILES

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

InChI

InChI=1S/C16H17NS/c1-17(2)16(18)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,1-2H3

InChIKey

JMUXNFZSTDDNFY-UHFFFAOYSA-N

Compound name

N,N-dimethyl-2,2-diphenylethanethioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 255.10817 Da
Monoisotopic Mass: 3.6
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]+	256.11545	158.1
[M+Na]+	278.09739	171.4
[M+NH4]+	273.14199	168.0
[M+K]+	294.07133	161.7
[M-H]-	254.10089	164.3
[M+Na-2H]-	276.08284	167.9
[M]+	255.10762	162.4
[M]-	255.10872	162.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.