CID 60652

Liarozole

Structural Information

Molecular Formula

C₁₇H₁₃ClN₄

SMILES

C1=CC(=CC(=C1)Cl)C(C2=CC3=C(C=C2)N=CN3)N4C=CN=C4

InChI

InChI=1S/C17H13ClN4/c18-14-3-1-2-12(8-14)17(22-7-6-19-11-22)13-4-5-15-16(9-13)21-10-20-15/h1-11,17H,(H,20,21)

InChIKey

UGFHIPBXIWJXNA-UHFFFAOYSA-N

Compound name

6-[(3-chlorophenyl)-imidazol-1-ylmethyl]-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 111
References: 21634
Patents: 308.0829 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]+	309.09018	168.5
[M+Na]+	331.07212	185.4
[M+NH4]+	326.11672	177.0
[M+K]+	347.04606	180.2
[M-H]-	307.07562	173.0
[M+Na-2H]-	329.05757	178.9
[M]+	308.08235	172.6
[M]-	308.08345	172.6

Literature stripe

literature stripe

Patent stripe

patents stripe