CID 3034830

55040-91-0

Structural Information

Molecular Formula

C₁₅H₁₄N₂OS

SMILES

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

InChI

InChI=1S/C15H14N2OS/c1-12(18)16-15(19)17(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3,(H,16,18,19)

InChIKey

OIEDPILTLBMANW-UHFFFAOYSA-N

Compound name

N-(diphenylcarbamothioyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 270.08267 Da
Monoisotopic Mass: 3.0
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]+	271.08995	160.7
[M+Na]+	293.07189	172.4
[M+NH4]+	288.11649	169.3
[M+K]+	309.04583	163.7
[M-H]-	269.07539	166.3
[M+Na-2H]-	291.05734	169.9
[M]+	270.08212	164.3
[M]-	270.08322	164.3

Literature stripe

literature stripe

Patent stripe

patents stripe