CID 13290699

93103-25-4

Structural Information

Molecular Formula

C₁₁H₁₂N₂S

SMILES

C1=CC=C(C=C1)CCC2=CNC(=S)N2

InChI

InChI=1S/C11H12N2S/c14-11-12-8-10(13-11)7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,12,13,14)

InChIKey

REPWWADKXMIAHS-UHFFFAOYSA-N

Compound name

4-(2-phenylethyl)-1,3-dihydroimidazole-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 204.07211 Da
Monoisotopic Mass: 2.0
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]+	205.079386	142.9
[M+Na]+	227.061328	152.1
[M-H]-	203.064834	144.9
[M+NH4]+	222.105933	160.6
[M+K]+	243.035268	145.7
[M+H-H2O]+	187.069370	136.1
[M+HCOO]-	249.070311	158.8
[M+CH3COO]-	263.085961	155.0
[M+Na-2H]-	225.046776	145.0
[M]+	204.07156142	141.2
[M]-	204.07265858	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe