CID 5272791

1-(6-dibenzofuran-3-yloxyhexyl)imidazole

Structural Information

Molecular Formula
C21H22N2O2
SMILES
C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)OCCCCCCN4C=CN=C4
InChI
InChI=1S/C21H22N2O2/c1(5-12-23-13-11-22-16-23)2-6-14-24-17-9-10-19-18-7-3-4-8-20(18)25-21(19)15-17/h3-4,7-11,13,15-16H,1-2,5-6,12,14H2
InChIKey
TYKAZYMUZHEYOZ-UHFFFAOYSA-N
Compound name
1-(6-dibenzofuran-3-yloxyhexyl)imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.16812 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.17540 179.1
[M+Na]+ 357.15734 188.9
[M-H]- 333.16084 186.2
[M+NH4]+ 352.20194 194.4
[M+K]+ 373.13128 184.0
[M+H-H2O]+ 317.16538 170.2
[M+HCOO]- 379.16632 201.8
[M+CH3COO]- 393.18197 190.9
[M+Na-2H]- 355.14279 184.0
[M]+ 334.16757 187.5
[M]- 334.16867 187.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.