CID 736689

Krm-iii

Structural Information

Molecular Formula

C₁₅H₁₂N₂S

SMILES

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

InChI

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

InChIKey

QKOAQVKXZJFMET-UHFFFAOYSA-N

Compound name

3,5-diphenyl-1H-imidazole-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 14
References: 39
Patents: 252.07211 Da
Monoisotopic Mass: 3.1
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	154.9
[M+Na]+	275.061328	165.3
[M-H]-	251.064834	161.7
[M+NH4]+	270.105933	171.2
[M+K]+	291.035268	158.0
[M+H-H2O]+	235.069370	147.0
[M+HCOO]-	297.070311	172.6
[M+CH3COO]-	311.085961	167.3
[M+Na-2H]-	273.046776	157.1
[M]+	252.07156142	154.4
[M]-	252.07265858	154.4

Literature stripe

literature stripe

Patent stripe

patents stripe