CID 854543

325720-87-4

Structural Information

Molecular Formula

C₁₆H₁₄N₂S

SMILES

CC1=CC=CC=C1N2C=C(NC2=S)C3=CC=CC=C3

InChI

InChI=1S/C16H14N2S/c1-12-7-5-6-10-15(12)18-11-14(17-16(18)19)13-8-3-2-4-9-13/h2-11H,1H3,(H,17,19)

InChIKey

COUIQLIGGKIRIA-UHFFFAOYSA-N

Compound name

3-(2-methylphenyl)-5-phenyl-1H-imidazole-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 266.08777 Da
Monoisotopic Mass: 3.5
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]+	267.095046	159.4
[M+Na]+	289.076988	170.3
[M-H]-	265.080494	166.5
[M+NH4]+	284.121593	175.5
[M+K]+	305.050928	162.7
[M+H-H2O]+	249.085030	151.5
[M+HCOO]-	311.085971	176.7
[M+CH3COO]-	325.101621	171.8
[M+Na-2H]-	287.062436	160.4
[M]+	266.08722142	159.7
[M]-	266.08831858	159.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe