CID 170221

39542-83-1

Structural Information

Molecular Formula

C₁₂H₁₂N₂OS₂

SMILES

CCN1C(=C(SC1=S)C=NC2=CC=CC=C2)O

InChI

InChI=1S/C12H12N2OS2/c1-2-14-11(15)10(17-12(14)16)8-13-9-6-4-3-5-7-9/h3-8,15H,2H2,1H3

InChIKey

ZMUTZNCDEDSUFW-UHFFFAOYSA-N

Compound name

3-ethyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazole-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 3
Patents: 264.0391 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]+	265.04638	157.6
[M+Na]+	287.02832	169.7
[M+NH4]+	282.07292	166.2
[M+K]+	303.00226	160.3
[M-H]-	263.03182	161.7
[M+Na-2H]-	285.01377	163.7
[M]+	264.03855	161.4
[M]-	264.03965	161.4

Literature stripe

literature stripe

Patent stripe

patents stripe