CID 42597039

Chembl473230

Structural Information

Molecular Formula
C22H25ClN2
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(N2C4CCCC4)C=CC(=C3)Cl
InChI
InChI=1S/C22H25ClN2/c1-22(2,3)16-10-8-15(9-11-16)21-24-19-14-17(23)12-13-20(19)25(21)18-6-4-5-7-18/h8-14,18H,4-7H2,1-3H3
InChIKey
HIKPCZJUDUWNBN-UHFFFAOYSA-N
Compound name
2-(4-tert-butylphenyl)-5-chloro-1-cyclopentylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.17062 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.17790 190.1
[M+Na]+ 375.15984 199.5
[M-H]- 351.16334 198.5
[M+NH4]+ 370.20444 206.2
[M+K]+ 391.13378 191.7
[M+H-H2O]+ 335.16788 181.2
[M+HCOO]- 397.16882 203.9
[M+CH3COO]- 411.18447 200.7
[M+Na-2H]- 373.14529 189.1
[M]+ 352.17007 192.4
[M]- 352.17117 192.4
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.