CID 3078131

Alpha-(((5a,6,7,8,9,9a-hexahydro-2-dibenzofuranyl)oxy)methyl)-1h-imidazole-1-ethanol hcl

Structural Information

Molecular Formula
C18H22N2O3
SMILES
C1CCC2C(C1)C3=C(O2)C=CC(=C3)OCC(CN4C=CN=C4)O
InChI
InChI=1S/C18H22N2O3/c21-13(10-20-8-7-19-12-20)11-22-14-5-6-18-16(9-14)15-3-1-2-4-17(15)23-18/h5-9,12-13,15,17,21H,1-4,10-11H2
InChIKey
CEQWFWFHFUAXFC-UHFFFAOYSA-N
Compound name
1-(5a,6,7,8,9,9a-hexahydrodibenzofuran-2-yloxy)-3-imidazol-1-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.16306 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.17034 174.0
[M+Na]+ 337.15228 184.6
[M+NH4]+ 332.19688 181.8
[M+K]+ 353.12622 182.3
[M-H]- 313.15578 177.4
[M+Na-2H]- 335.13773 176.8
[M]+ 314.16251 176.2
[M]- 314.16361 176.2
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.