CID 3007951

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

Structural Information

Molecular Formula
C26H25FN2
SMILES
C1CCC(C1)C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)CCC5=CC=C(C=C5)F
InChI
InChI=1S/C26H25FN2/c27-23-14-9-19(10-15-23)6-5-18-7-11-21(12-8-18)26-28-24-16-13-22(17-25(24)29-26)20-3-1-2-4-20/h7-17,20H,1-6H2,(H,28,29)
InChIKey
PXCNTEXOYMLIRQ-UHFFFAOYSA-N
Compound name
6-cyclopentyl-2-[4-[2-(4-fluorophenyl)ethyl]phenyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.20016 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.20744 193.4
[M+Na]+ 407.18938 200.7
[M-H]- 383.19288 202.0
[M+NH4]+ 402.23398 205.6
[M+K]+ 423.16332 191.1
[M+H-H2O]+ 367.19742 181.9
[M+HCOO]- 429.19836 210.9
[M+CH3COO]- 443.21401 202.3
[M+Na-2H]- 405.17483 191.2
[M]+ 384.19961 190.1
[M]- 384.20071 190.1
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.