CID 439112

1h-imidazole, 4,5-dihydro-2-(4-(5-(4,5-dihydro-1h-imidazol-2-yl)-2-benzofuranyl)phenyl)-

Structural Information

Molecular Formula
C20H18N4O
SMILES
C1CN=C(N1)C2=CC=C(C=C2)C3=CC4=C(O3)C=CC(=C4)C5=NCCN5
InChI
InChI=1S/C20H18N4O/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/h1-6,11-12H,7-10H2,(H,21,22)(H,23,24)
InChIKey
CJTQRQGIHAYSQV-UHFFFAOYSA-N
Compound name
2-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenyl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

11
Patents

330.14807 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.15535 172.7
[M+Na]+ 353.13729 181.1
[M-H]- 329.14079 180.8
[M+NH4]+ 348.18189 184.2
[M+K]+ 369.11123 174.8
[M+H-H2O]+ 313.14533 163.2
[M+HCOO]- 375.14627 189.5
[M+CH3COO]- 389.16192 182.9
[M+Na-2H]- 351.12274 171.7
[M]+ 330.14752 170.6
[M]- 330.14862 170.6
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.