CID 15954960

1h-imidazole, 2,2'-(1,3-propanediyldi-2,5-benzofurandiyl)bis-

Structural Information

Molecular Formula
C25H20N4O2
SMILES
C1=CC2=C(C=C1C3=NC=CN3)C=C(O2)CCCC4=CC5=C(O4)C=CC(=C5)C6=NC=CN6
InChI
InChI=1S/C25H20N4O2/c1(2-20-14-18-12-16(4-6-22(18)30-20)24-26-8-9-27-24)3-21-15-19-13-17(5-7-23(19)31-21)25-28-10-11-29-25/h4-15H,1-3H2,(H,26,27)(H,28,29)
InChIKey
XVQWQDORFUVLOV-UHFFFAOYSA-N
Compound name
2-[2-[3-[5-(1H-imidazol-2-yl)-1-benzofuran-2-yl]propyl]-1-benzofuran-5-yl]-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.15863 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.16591 187.7
[M+Na]+ 431.14785 199.4
[M-H]- 407.15135 199.7
[M+NH4]+ 426.19245 198.2
[M+K]+ 447.12179 194.1
[M+H-H2O]+ 391.15589 180.7
[M+HCOO]- 453.15683 208.0
[M+CH3COO]- 467.17248 199.0
[M+Na-2H]- 429.13330 186.5
[M]+ 408.15808 195.0
[M]- 408.15918 195.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.