CID 3007943

6-cyclopentyl-2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]-1h-benzimidazole

Structural Information

Molecular Formula
C27H28N2O
SMILES
COC1=CC=C(C=C1)CCC2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)C5CCCC5
InChI
InChI=1S/C27H28N2O/c1-30-24-15-10-20(11-16-24)7-6-19-8-12-22(13-9-19)27-28-25-17-14-23(18-26(25)29-27)21-4-2-3-5-21/h8-18,21H,2-7H2,1H3,(H,28,29)
InChIKey
HSLVIEMDUUREFW-UHFFFAOYSA-N
Compound name
6-cyclopentyl-2-[4-[2-(4-methoxyphenyl)ethyl]phenyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

396.22015 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.22743 197.9
[M+Na]+ 419.20937 204.4
[M-H]- 395.21287 207.8
[M+NH4]+ 414.25397 209.6
[M+K]+ 435.18331 195.9
[M+H-H2O]+ 379.21741 187.1
[M+HCOO]- 441.21835 216.2
[M+CH3COO]- 455.23400 206.8
[M+Na-2H]- 417.19482 195.9
[M]+ 396.21960 197.1
[M]- 396.22070 197.1
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.