CID 42597045

Chembl500539

Structural Information

Molecular Formula
C20H20ClFN2O
SMILES
CCOC1=C(C=C2C(=C1)N(C(=N2)C3=CC=C(C=C3)F)C4CCCC4)Cl
InChI
InChI=1S/C20H20ClFN2O/c1-2-25-19-12-18-17(11-16(19)21)23-20(13-7-9-14(22)10-8-13)24(18)15-5-3-4-6-15/h7-12,15H,2-6H2,1H3
InChIKey
RWIQMNRTQGXUHG-UHFFFAOYSA-N
Compound name
5-chloro-1-cyclopentyl-6-ethoxy-2-(4-fluorophenyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.12482 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.13210 185.0
[M+Na]+ 381.11404 195.7
[M-H]- 357.11754 192.4
[M+NH4]+ 376.15864 200.8
[M+K]+ 397.08798 187.9
[M+H-H2O]+ 341.12208 175.0
[M+HCOO]- 403.12302 200.3
[M+CH3COO]- 417.13867 196.0
[M+Na-2H]- 379.09949 183.1
[M]+ 358.12427 188.1
[M]- 358.12537 188.1
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.