CID 457008

Chembl134524

Structural Information

Molecular Formula
C18H16N2O
SMILES
C1C2=CC=CC=C2C(O1)(CN3C=CN=C3)C4=CC=CC=C4
InChI
InChI=1S/C18H16N2O/c1-2-7-16(8-3-1)18(13-20-11-10-19-14-20)17-9-5-4-6-15(17)12-21-18/h1-11,14H,12-13H2
InChIKey
WLSBTGZKERNUCU-UHFFFAOYSA-N
Compound name
1-[(1-phenyl-3H-2-benzofuran-1-yl)methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

276.12625 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.13353 162.5
[M+Na]+ 299.11547 171.1
[M-H]- 275.11897 171.5
[M+NH4]+ 294.16007 180.4
[M+K]+ 315.08941 167.0
[M+H-H2O]+ 259.12351 153.4
[M+HCOO]- 321.12445 183.6
[M+CH3COO]- 335.14010 174.9
[M+Na-2H]- 297.10092 167.3
[M]+ 276.12570 163.0
[M]- 276.12680 163.0
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

patents stripe