CID 42600439

Chembl471944

Structural Information

Molecular Formula
C22H23ClN2O3
SMILES
CCOC1=C(C=C2C(=C1)N(C(=N2)C3=CC=C(C=C3)OC(=O)C)C4CCCC4)Cl
InChI
InChI=1S/C22H23ClN2O3/c1-3-27-21-13-20-19(12-18(21)23)24-22(25(20)16-6-4-5-7-16)15-8-10-17(11-9-15)28-14(2)26/h8-13,16H,3-7H2,1-2H3
InChIKey
WNTRRMOQFOSQPE-UHFFFAOYSA-N
Compound name
[4-(5-chloro-1-cyclopentyl-6-ethoxybenzimidazol-2-yl)phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

398.1397 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.14698 196.3
[M+Na]+ 421.12892 205.5
[M-H]- 397.13242 205.0
[M+NH4]+ 416.17352 210.2
[M+K]+ 437.10286 199.3
[M+H-H2O]+ 381.13696 187.1
[M+HCOO]- 443.13790 211.4
[M+CH3COO]- 457.15355 206.6
[M+Na-2H]- 419.11437 193.2
[M]+ 398.13915 202.4
[M]- 398.14025 202.4
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.