CID 42600687

Chembl473410

Structural Information

Molecular Formula
C18H16Cl2N2
SMILES
C1CCC(C1)N2C3=C(C=C(C=C3)Cl)N=C2C4=CC=C(C=C4)Cl
InChI
InChI=1S/C18H16Cl2N2/c19-13-7-5-12(6-8-13)18-21-16-11-14(20)9-10-17(16)22(18)15-3-1-2-4-15/h5-11,15H,1-4H2
InChIKey
LCCNYBSALOJRNR-UHFFFAOYSA-N
Compound name
5-chloro-2-(4-chlorophenyl)-1-cyclopentylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.06906 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.07634 178.5
[M+Na]+ 353.05828 189.6
[M-H]- 329.06178 186.0
[M+NH4]+ 348.10288 195.5
[M+K]+ 369.03222 181.1
[M+H-H2O]+ 313.06632 169.4
[M+HCOO]- 375.06726 189.9
[M+CH3COO]- 389.08291 189.7
[M+Na-2H]- 351.04373 177.7
[M]+ 330.06851 181.1
[M]- 330.06961 181.1
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.