CID 3009088

1-(2-(2,4-dichlorobenzyloxy)-2-(benzofuran-2-yl)ethyl)-1h-imidazole

Structural Information

Molecular Formula
C20H16Cl2N2O2
SMILES
C1=CC=C2C(=C1)C=C(O2)C(CN3C=CN=C3)OCC4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C20H16Cl2N2O2/c21-16-6-5-15(17(22)10-16)12-25-20(11-24-8-7-23-13-24)19-9-14-3-1-2-4-18(14)26-19/h1-10,13,20H,11-12H2
InChIKey
ISCWPFMQXGJQCE-UHFFFAOYSA-N
Compound name
1-[2-(1-benzofuran-2-yl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.05887 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.06615 189.8
[M+Na]+ 409.04809 200.5
[M-H]- 385.05159 198.3
[M+NH4]+ 404.09269 202.9
[M+K]+ 425.02203 194.2
[M+H-H2O]+ 369.05613 180.6
[M+HCOO]- 431.05707 201.7
[M+CH3COO]- 445.07272 200.6
[M+Na-2H]- 407.03354 190.3
[M]+ 386.05832 198.3
[M]- 386.05942 198.3
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.