CID 3062594

1-((2-(5,7-dichloro-2-benzofuranyl)-1,3-dioxolan-2-yl)methyl)-1h-imidazole

Structural Information

Molecular Formula
C15H12Cl2N2O3
SMILES
C1COC(O1)(CN2C=CN=C2)C3=CC4=CC(=CC(=C4O3)Cl)Cl
InChI
InChI=1S/C15H12Cl2N2O3/c16-11-5-10-6-13(22-14(10)12(17)7-11)15(20-3-4-21-15)8-19-2-1-18-9-19/h1-2,5-7,9H,3-4,8H2
InChIKey
OJZULSXXGZQUFE-UHFFFAOYSA-N
Compound name
1-[[2-(5,7-dichloro-1-benzofuran-2-yl)-1,3-dioxolan-2-yl]methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

338.0225 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.02978 166.4
[M+Na]+ 361.01172 181.9
[M+NH4]+ 356.05632 176.3
[M+K]+ 376.98566 178.8
[M-H]- 337.01522 174.1
[M+Na-2H]- 358.99717 173.9
[M]+ 338.02195 171.7
[M]- 338.02305 171.7
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

patents stripe