CID 42597289

Chembl475365

Structural Information

Molecular Formula
C22H24Cl2N2
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC(=C(C=C3N2C4CCCC4)Cl)Cl
InChI
InChI=1S/C22H24Cl2N2/c1-22(2,3)15-10-8-14(9-11-15)21-25-19-12-17(23)18(24)13-20(19)26(21)16-6-4-5-7-16/h8-13,16H,4-7H2,1-3H3
InChIKey
KLXFVPOIBBEKPN-UHFFFAOYSA-N
Compound name
2-(4-tert-butylphenyl)-5,6-dichloro-1-cyclopentylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

386.13165 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.13893 198.7
[M+Na]+ 409.12087 209.2
[M-H]- 385.12437 206.4
[M+NH4]+ 404.16547 213.9
[M+K]+ 425.09481 200.4
[M+H-H2O]+ 369.12891 189.7
[M+HCOO]- 431.12985 207.1
[M+CH3COO]- 445.14550 208.5
[M+Na-2H]- 407.10632 196.0
[M]+ 386.13110 202.5
[M]- 386.13220 202.5
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

No patent data available for this compound.