CID 42600689

Chembl515595

Structural Information

Molecular Formula
C20H19ClN2O2
SMILES
CC(=O)OC1=CC=C(C=C1)C2=NC3=C(N2C4CCCC4)C=CC(=C3)Cl
InChI
InChI=1S/C20H19ClN2O2/c1-13(24)25-17-9-6-14(7-10-17)20-22-18-12-15(21)8-11-19(18)23(20)16-4-2-3-5-16/h6-12,16H,2-5H2,1H3
InChIKey
ZUNDVANGBLISID-UHFFFAOYSA-N
Compound name
[4-(5-chloro-1-cyclopentylbenzimidazol-2-yl)phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.1135 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.12078 184.5
[M+Na]+ 377.10272 194.1
[M-H]- 353.10622 193.2
[M+NH4]+ 372.14732 200.1
[M+K]+ 393.07666 187.5
[M+H-H2O]+ 337.11076 175.6
[M+HCOO]- 399.11170 200.3
[M+CH3COO]- 413.12735 195.6
[M+Na-2H]- 375.08817 183.0
[M]+ 354.11295 188.2
[M]- 354.11405 188.2
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.