CID 456460

Furimidazoline

Structural Information

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

14
References

121
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

patents stripe