CID 340374

N,n-diphenylethanethioamide

Structural Information

Molecular Formula

C₁₄H₁₃NS

SMILES

CC(=S)N(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C14H13NS/c1-12(16)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3

InChIKey

OCNLQPFWJFXVDA-UHFFFAOYSA-N

Compound name

N,N-diphenylethanethioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 227.07687 Da
Monoisotopic Mass: 2.8
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]+	228.08415	149.5
[M+Na]+	250.06609	163.5
[M+NH4]+	245.11069	159.9
[M+K]+	266.04003	153.4
[M-H]-	226.06959	155.9
[M+Na-2H]-	248.05154	160.1
[M]+	227.07632	154.0
[M]-	227.07742	154.0

Literature stripe

literature stripe

Patent stripe

patents stripe