CID 42600683

Chembl470738

Structural Information

Molecular Formula
C20H18Cl2N2O2
SMILES
CC(=O)OC1=CC=C(C=C1)C2=NC3=CC(=C(C=C3N2C4CCCC4)Cl)Cl
InChI
InChI=1S/C20H18Cl2N2O2/c1-12(25)26-15-8-6-13(7-9-15)20-23-18-10-16(21)17(22)11-19(18)24(20)14-4-2-3-5-14/h6-11,14H,2-5H2,1H3
InChIKey
RTFBPJHIQWWKRZ-UHFFFAOYSA-N
Compound name
[4-(5,6-dichloro-1-cyclopentylbenzimidazol-2-yl)phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

388.07452 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.08180 192.0
[M+Na]+ 411.06374 202.7
[M-H]- 387.06724 200.1
[M+NH4]+ 406.10834 206.8
[M+K]+ 427.03768 195.2
[M+H-H2O]+ 371.07178 183.3
[M+HCOO]- 433.07272 202.4
[M+CH3COO]- 447.08837 202.4
[M+Na-2H]- 409.04919 188.9
[M]+ 388.07397 197.3
[M]- 388.07507 197.3
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.