CID 42597291

Chembl473358

Structural Information

Molecular Formula
C25H23ClN2O
SMILES
C1CCC(C1)N2C3=C(C=C(C=C3)Cl)N=C2C4=CC=C(C=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C25H23ClN2O/c26-20-12-15-24-23(16-20)27-25(28(24)21-8-4-5-9-21)19-10-13-22(14-11-19)29-17-18-6-2-1-3-7-18/h1-3,6-7,10-16,21H,4-5,8-9,17H2
InChIKey
LUYZOEIOSBBLSS-UHFFFAOYSA-N
Compound name
5-chloro-1-cyclopentyl-2-(4-phenylmethoxyphenyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

402.1499 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.15718 198.9
[M+Na]+ 425.13912 207.6
[M-H]- 401.14262 209.9
[M+NH4]+ 420.18372 211.8
[M+K]+ 441.11306 198.9
[M+H-H2O]+ 385.14716 187.8
[M+HCOO]- 447.14810 214.5
[M+CH3COO]- 461.16375 208.7
[M+Na-2H]- 423.12457 197.4
[M]+ 402.14935 201.5
[M]- 402.15045 201.5
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.