CID 42600685

Chembl515759

Structural Information

Molecular Formula
C18H15Cl3N2
SMILES
C1CCC(C1)N2C3=CC(=C(C=C3N=C2C4=CC=C(C=C4)Cl)Cl)Cl
InChI
InChI=1S/C18H15Cl3N2/c19-12-7-5-11(6-8-12)18-22-16-9-14(20)15(21)10-17(16)23(18)13-3-1-2-4-13/h5-10,13H,1-4H2
InChIKey
KLDOVZZNWJFVRF-UHFFFAOYSA-N
Compound name
5,6-dichloro-2-(4-chlorophenyl)-1-cyclopentylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.0301 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.03738 186.4
[M+Na]+ 387.01932 198.1
[M-H]- 363.02282 192.6
[M+NH4]+ 382.06392 202.2
[M+K]+ 402.99326 189.2
[M+H-H2O]+ 347.02736 177.4
[M+HCOO]- 409.02830 192.1
[M+CH3COO]- 423.04395 196.5
[M+Na-2H]- 385.00477 183.7
[M]+ 364.02955 189.5
[M]- 364.03065 189.5
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.