CID 3007947

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

Structural Information

Molecular Formula
C28H30N2
SMILES
CCC1=CC=C(C=C1)CCC2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)C5CCCC5
InChI
InChI=1S/C28H30N2/c1-2-20-7-9-21(10-8-20)11-12-22-13-15-24(16-14-22)28-29-26-18-17-25(19-27(26)30-28)23-5-3-4-6-23/h7-10,13-19,23H,2-6,11-12H2,1H3,(H,29,30)
InChIKey
WEXYRXYKBIYYTR-UHFFFAOYSA-N
Compound name
6-cyclopentyl-2-[4-[2-(4-ethylphenyl)ethyl]phenyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

394.2409 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.24818 199.3
[M+Na]+ 417.23012 205.6
[M-H]- 393.23362 208.9
[M+NH4]+ 412.27472 211.1
[M+K]+ 433.20406 196.1
[M+H-H2O]+ 377.23816 188.4
[M+HCOO]- 439.23910 217.1
[M+CH3COO]- 453.25475 207.9
[M+Na-2H]- 415.21557 196.6
[M]+ 394.24035 197.4
[M]- 394.24145 197.4
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.