CID 42600688

Chembl472821

Structural Information

Molecular Formula
C19H19ClN2O
SMILES
COC1=CC=C(C=C1)C2=NC3=C(N2C4CCCC4)C=CC(=C3)Cl
InChI
InChI=1S/C19H19ClN2O/c1-23-16-9-6-13(7-10-16)19-21-17-12-14(20)8-11-18(17)22(19)15-4-2-3-5-15/h6-12,15H,2-5H2,1H3
InChIKey
BQFCPKQIZWNGNC-UHFFFAOYSA-N
Compound name
5-chloro-1-cyclopentyl-2-(4-methoxyphenyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

326.1186 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.12588 177.7
[M+Na]+ 349.10782 187.9
[M-H]- 325.11132 186.3
[M+NH4]+ 344.15242 194.6
[M+K]+ 365.08176 180.9
[M+H-H2O]+ 309.11586 168.6
[M+HCOO]- 371.11680 194.4
[M+CH3COO]- 385.13245 189.4
[M+Na-2H]- 347.09327 177.6
[M]+ 326.11805 181.0
[M]- 326.11915 181.0
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.