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
4
Annotation Hits

112
References

22783
Patents

308.0829 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.090176 168.9
[M+Na]+ 331.072118 179.5
[M-H]- 307.075624 173.9
[M+NH4]+ 326.116723 182.5
[M+K]+ 347.046058 171.4
[M+H-H2O]+ 291.080160 158.4
[M+HCOO]- 353.081101 183.7
[M+CH3COO]- 367.096751 179.8
[M+Na-2H]- 329.057566 171.8
[M]+ 308.08235142 170.8
[M]- 308.08344858 170.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe