CID 15954950

Chembl448231

Structural Information

Molecular Formula
C20H14N4O
SMILES
C1=CC(=CC=C1C2=CC3=C(O2)C=CC(=C3)C4=NC=CN4)C5=NC=CN5
InChI
InChI=1S/C20H14N4O/c1-3-14(19-21-7-8-22-19)4-2-13(1)18-12-16-11-15(5-6-17(16)25-18)20-23-9-10-24-20/h1-12H,(H,21,22)(H,23,24)
InChIKey
ZLOMRPDNWYYNMH-UHFFFAOYSA-N
Compound name
2-[4-[5-(1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

326.11676 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.12404 169.9
[M+Na]+ 349.10598 181.3
[M-H]- 325.10948 179.3
[M+NH4]+ 344.15058 181.9
[M+K]+ 365.07992 174.5
[M+H-H2O]+ 309.11402 160.9
[M+HCOO]- 371.11496 190.8
[M+CH3COO]- 385.13061 181.7
[M+Na-2H]- 347.09143 172.0
[M]+ 326.11621 172.0
[M]- 326.11731 172.0
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

No patent data available for this compound.