CID 42600438

Chembl472626

Structural Information

Molecular Formula
C20H20Cl2N2O
SMILES
CCOC1=C(C=C2C(=C1)N(C(=N2)C3=CC=C(C=C3)Cl)C4CCCC4)Cl
InChI
InChI=1S/C20H20Cl2N2O/c1-2-25-19-12-18-17(11-16(19)22)23-20(13-7-9-14(21)10-8-13)24(18)15-5-3-4-6-15/h7-12,15H,2-6H2,1H3
InChIKey
LAYDFHRBDKUAGZ-UHFFFAOYSA-N
Compound name
5-chloro-2-(4-chlorophenyl)-1-cyclopentyl-6-ethoxybenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.09528 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.10256 190.4
[M+Na]+ 397.08450 201.3
[M-H]- 373.08800 198.1
[M+NH4]+ 392.12910 205.9
[M+K]+ 413.05844 193.1
[M+H-H2O]+ 357.09254 181.3
[M+HCOO]- 419.09348 201.3
[M+CH3COO]- 433.10913 200.9
[M+Na-2H]- 395.06995 188.1
[M]+ 374.09473 195.5
[M]- 374.09583 195.5
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.