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

12
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

literature stripe

Patent stripe

patents stripe