CID 460174

Chembl1161727

Structural Information

Molecular Formula
C22H20N4O
SMILES
C1CN=C(N1)C2=CC=CC(=C2)C3=CC=C(O3)C4=CC(=CC=C4)C5=NCCN5
InChI
InChI=1S/C22H20N4O/c1-3-15(13-17(5-1)21-23-9-10-24-21)19-7-8-20(27-19)16-4-2-6-18(14-16)22-25-11-12-26-22/h1-8,13-14H,9-12H2,(H,23,24)(H,25,26)
InChIKey
KSLFYYAKRHCZGA-UHFFFAOYSA-N
Compound name
2-[3-[5-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]furan-2-yl]phenyl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

356.1637 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.17098 179.2
[M+Na]+ 379.15292 185.5
[M-H]- 355.15642 188.9
[M+NH4]+ 374.19752 188.1
[M+K]+ 395.12686 179.2
[M+H-H2O]+ 339.16096 168.7
[M+HCOO]- 401.16190 195.4
[M+CH3COO]- 415.17755 188.4
[M+Na-2H]- 377.13837 175.9
[M]+ 356.16315 175.0
[M]- 356.16425 175.0
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.