CID 457007

Isobzfuran ph-ph imid deriv.

Structural Information

Molecular Formula
C24H20N2O
SMILES
C1C2=CC=CC=C2C(O1)(CN3C=CN=C3)C4=CC=C(C=C4)C5=CC=CC=C5
InChI
InChI=1S/C24H20N2O/c1-2-6-19(7-3-1)20-10-12-22(13-11-20)24(17-26-15-14-25-18-26)23-9-5-4-8-21(23)16-27-24/h1-15,18H,16-17H2
InChIKey
FUJSNWGMDYDZLE-UHFFFAOYSA-N
Compound name
1-[[1-(4-phenylphenyl)-3H-2-benzofuran-1-yl]methyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

352.15756 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.16484 184.0
[M+Na]+ 375.14678 192.1
[M-H]- 351.15028 195.9
[M+NH4]+ 370.19138 198.3
[M+K]+ 391.12072 186.2
[M+H-H2O]+ 335.15482 173.2
[M+HCOO]- 397.15576 204.1
[M+CH3COO]- 411.17141 194.8
[M+Na-2H]- 373.13223 186.4
[M]+ 352.15701 184.1
[M]- 352.15811 184.1
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