CID 679479

2349-58-8

Structural Information

Molecular Formula

C₁₅H₁₂N₂S

SMILES

C1=CC=C(C=C1)C2=C(NC(=S)N2)C3=CC=CC=C3

InChI

InChI=1S/C15H12N2S/c18-15-16-13(11-7-3-1-4-8-11)14(17-15)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18)

InChIKey

GMTAWLUJHGIUPU-UHFFFAOYSA-N

Compound name

4,5-diphenyl-1,3-dihydroimidazole-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1287
Patents: 252.07211 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]+	253.079386	154.8
[M+Na]+	275.061328	164.8
[M-H]-	251.064834	160.2
[M+NH4]+	270.105933	170.4
[M+K]+	291.035268	156.5
[M+H-H2O]+	235.069370	147.2
[M+HCOO]-	297.070311	171.0
[M+CH3COO]-	311.085961	166.5
[M+Na-2H]-	273.046776	156.7
[M]+	252.07156142	152.5
[M]-	252.07265858	152.5

Literature stripe

literature stripe

Patent stripe

patents stripe