CID 15954956

1h-imidazole, 2,2'-(1,2-ethanediyldi-2,6-benzofurandiyl)bis-

Structural Information

Molecular Formula
C24H18N4O2
SMILES
C1=CC2=C(C=C1C3=NC=CN3)OC(=C2)CCC4=CC5=C(O4)C=C(C=C5)C6=NC=CN6
InChI
InChI=1S/C24H18N4O2/c1-3-17(23-25-7-8-26-23)13-21-15(1)11-19(29-21)5-6-20-12-16-2-4-18(14-22(16)30-20)24-27-9-10-28-24/h1-4,7-14H,5-6H2,(H,25,26)(H,27,28)
InChIKey
YJVRUONESMEXHW-UHFFFAOYSA-N
Compound name
2-[2-[2-[6-(1H-imidazol-2-yl)-1-benzofuran-2-yl]ethyl]-1-benzofuran-6-yl]-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.14297 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.15025 183.5
[M+Na]+ 417.13219 195.7
[M-H]- 393.13569 195.7
[M+NH4]+ 412.17679 194.5
[M+K]+ 433.10613 190.5
[M+H-H2O]+ 377.14023 176.7
[M+HCOO]- 439.14117 204.2
[M+CH3COO]- 453.15682 195.2
[M+Na-2H]- 415.11764 182.7
[M]+ 394.14242 190.5
[M]- 394.14352 190.5
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.