CID 42597287

Chembl444475

Structural Information

Molecular Formula
C19H18Cl2N2O
SMILES
COC1=CC=C(C=C1)C2=NC3=CC(=C(C=C3N2C4CCCC4)Cl)Cl
InChI
InChI=1S/C19H18Cl2N2O/c1-24-14-8-6-12(7-9-14)19-22-17-10-15(20)16(21)11-18(17)23(19)13-4-2-3-5-13/h6-11,13H,2-5H2,1H3
InChIKey
NVXJEPIBHUTNCJ-UHFFFAOYSA-N
Compound name
5,6-dichloro-1-cyclopentyl-2-(4-methoxyphenyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

360.07962 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.08690 185.9
[M+Na]+ 383.06884 197.2
[M-H]- 359.07234 193.7
[M+NH4]+ 378.11344 202.0
[M+K]+ 399.04278 189.2
[M+H-H2O]+ 343.07688 176.9
[M+HCOO]- 405.07782 197.2
[M+CH3COO]- 419.09347 196.8
[M+Na-2H]- 381.05429 184.1
[M]+ 360.07907 190.6
[M]- 360.08017 190.6
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.