CID 1711657

1055196-26-3

Structural Information

Molecular Formula

C₁₁H₁₄N₂S

SMILES

CC1=CC(=CC=C1)CSC2=NCCN2

InChI

InChI=1S/C11H14N2S/c1-9-3-2-4-10(7-9)8-14-11-12-5-6-13-11/h2-4,7H,5-6,8H2,1H3,(H,12,13)

InChIKey

OJCCCODTWJGHJO-UHFFFAOYSA-N

Compound name

2-[(3-methylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 206.08777 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]+	207.09505	144.6
[M+Na]+	229.07699	153.0
[M-H]-	205.08049	147.6
[M+NH4]+	224.12159	162.9
[M+K]+	245.05093	148.4
[M+H-H2O]+	189.08503	137.4
[M+HCOO]-	251.08597	160.4
[M+CH3COO]-	265.10162	156.8
[M+Na-2H]-	227.06244	146.1
[M]+	206.08722	144.0
[M]-	206.08832	144.0

Literature stripe

literature stripe

Patent stripe

patents stripe