CID 481737

2,5-bis[4-(n-hydroxyethylimidazol-2-yl)phenyl]furan

Structural Information

Molecular Formula
C26H24N4O3
SMILES
C1=CC(=CC=C1C2=CC=C(O2)C3=CC=C(C=C3)C4=NC=CN4CCO)C5=NC=CN5CCO
InChI
InChI=1S/C26H24N4O3/c31-17-15-29-13-11-27-25(29)21-5-1-19(2-6-21)23-9-10-24(33-23)20-3-7-22(8-4-20)26-28-12-14-30(26)16-18-32/h1-14,31-32H,15-18H2
InChIKey
HLEFEUUTIDRFFI-UHFFFAOYSA-N
Compound name
2-[2-[4-[5-[4-[1-(2-hydroxyethyl)imidazol-2-yl]phenyl]furan-2-yl]phenyl]imidazol-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

440.18484 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.19212 200.1
[M+Na]+ 463.17406 208.5
[M-H]- 439.17756 211.3
[M+NH4]+ 458.21866 206.2
[M+K]+ 479.14800 202.3
[M+H-H2O]+ 423.18210 189.6
[M+HCOO]- 485.18304 219.1
[M+CH3COO]- 499.19869 209.3
[M+Na-2H]- 461.15951 196.5
[M]+ 440.18429 204.5
[M]- 440.18539 204.5
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.