CID 5478791

Chembl441303

Structural Information

Molecular Formula
C22H20N4O
SMILES
C1CN=C(N1)C2=CC=C(C=C2)/C=C/C3=CC4=C(O3)C=CC(=C4)C5=NCCN5
InChI
InChI=1S/C22H20N4O/c1-4-16(21-23-9-10-24-21)5-2-15(1)3-7-19-14-18-13-17(6-8-20(18)27-19)22-25-11-12-26-22/h1-8,13-14H,9-12H2,(H,23,24)(H,25,26)/b7-3+
InChIKey
JTSGSXZARCBENN-XVNBXDOJSA-N
Compound name
2-[4-[(E)-2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]ethenyl]phenyl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1
Patents

356.1637 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.17098 181.5
[M+Na]+ 379.15292 189.3
[M-H]- 355.15642 189.3
[M+NH4]+ 374.19752 191.9
[M+K]+ 395.12686 182.1
[M+H-H2O]+ 339.16096 171.7
[M+HCOO]- 401.16190 197.8
[M+CH3COO]- 415.17755 190.8
[M+Na-2H]- 377.13837 179.4
[M]+ 356.16315 179.2
[M]- 356.16425 179.2
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