CID 15954952

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

Structural Information

Molecular Formula
C23H16N4O2
SMILES
C1=CC2=C(C=C1C3=NC=CN3)OC(=C2)CC4=CC5=C(O4)C=C(C=C5)C6=NC=CN6
InChI
InChI=1S/C23H16N4O2/c1-3-16(22-24-5-6-25-22)11-20-14(1)9-18(28-20)13-19-10-15-2-4-17(12-21(15)29-19)23-26-7-8-27-23/h1-12H,13H2,(H,24,25)(H,26,27)
InChIKey
NHJMZKPUQYUCNW-UHFFFAOYSA-N
Compound name
2-[2-[[6-(1H-imidazol-2-yl)-1-benzofuran-2-yl]methyl]-1-benzofuran-6-yl]-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.12732 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.13460 179.2
[M+Na]+ 403.11654 191.9
[M-H]- 379.12004 191.6
[M+NH4]+ 398.16114 190.8
[M+K]+ 419.09048 186.9
[M+H-H2O]+ 363.12458 172.6
[M+HCOO]- 425.12552 200.3
[M+CH3COO]- 439.14117 191.4
[M+Na-2H]- 401.10199 179.0
[M]+ 380.12677 186.0
[M]- 380.12787 186.0
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.