CID 39158439

Chembl475178

Structural Information

Molecular Formula
C17H16Cl2N2
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC(=C(C=C3N2)Cl)Cl
InChI
InChI=1S/C17H16Cl2N2/c1-17(2,3)11-6-4-10(5-7-11)16-20-14-8-12(18)13(19)9-15(14)21-16/h4-9H,1-3H3,(H,20,21)
InChIKey
GMVVARDXSBQDEC-UHFFFAOYSA-N
Compound name
2-(4-tert-butylphenyl)-5,6-dichloro-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.06906 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.07634 174.7
[M+Na]+ 341.05828 187.1
[M-H]- 317.06178 178.5
[M+NH4]+ 336.10288 190.7
[M+K]+ 357.03222 178.3
[M+H-H2O]+ 301.06632 167.4
[M+HCOO]- 363.06726 184.2
[M+CH3COO]- 377.08291 186.0
[M+Na-2H]- 339.04373 178.1
[M]+ 318.06851 179.1
[M]- 318.06961 179.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.