CID 42597524

Chembl475242

Structural Information

Molecular Formula
C18H16ClN3O2
SMILES
C1CCC(C1)N2C3=C(C=C(C=C3)Cl)N=C2C4=CC(=CC=C4)[N+](=O)[O-]
InChI
InChI=1S/C18H16ClN3O2/c19-13-8-9-17-16(11-13)20-18(21(17)14-5-1-2-6-14)12-4-3-7-15(10-12)22(23)24/h3-4,7-11,14H,1-2,5-6H2
InChIKey
CDSLFIRTOWWLCO-UHFFFAOYSA-N
Compound name
5-chloro-1-cyclopentyl-2-(3-nitrophenyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

341.0931 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.10038 181.0
[M+Na]+ 364.08232 188.7
[M-H]- 340.08582 189.3
[M+NH4]+ 359.12692 195.7
[M+K]+ 380.05626 178.3
[M+H-H2O]+ 324.09036 176.3
[M+HCOO]- 386.09130 198.4
[M+CH3COO]- 400.10695 203.2
[M+Na-2H]- 362.06777 183.4
[M]+ 341.09255 180.9
[M]- 341.09365 180.9
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.