CID 15954962

1h-imidazole, 2,2'-(1,4-butanediyldi-2,5-benzofurandiyl)bis-

Structural Information

Molecular Formula
C26H22N4O2
SMILES
C1=CC2=C(C=C1C3=NC=CN3)C=C(O2)CCCCC4=CC5=C(O4)C=CC(=C5)C6=NC=CN6
InChI
InChI=1S/C26H22N4O2/c1(3-21-15-19-13-17(5-7-23(19)31-21)25-27-9-10-28-25)2-4-22-16-20-14-18(6-8-24(20)32-22)26-29-11-12-30-26/h5-16H,1-4H2,(H,27,28)(H,29,30)
InChIKey
JRZSHGFMBABVMT-UHFFFAOYSA-N
Compound name
2-[2-[4-[5-(1H-imidazol-2-yl)-1-benzofuran-2-yl]butyl]-1-benzofuran-5-yl]-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.1743 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.18158 192.0
[M+Na]+ 445.16352 203.2
[M-H]- 421.16702 203.8
[M+NH4]+ 440.20812 201.8
[M+K]+ 461.13746 197.6
[M+H-H2O]+ 405.17156 184.7
[M+HCOO]- 467.17250 211.9
[M+CH3COO]- 481.18815 202.8
[M+Na-2H]- 443.14897 190.2
[M]+ 422.17375 199.4
[M]- 422.17485 199.4
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.