CID 15954964

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

Structural Information

Molecular Formula
C27H24N4O2
SMILES
C1=CC2=C(C=C1C3=NC=CN3)C=C(O2)CCCCCC4=CC5=C(O4)C=CC(=C5)C6=NC=CN6
InChI
InChI=1S/C27H24N4O2/c1(2-4-22-16-20-14-18(6-8-24(20)32-22)26-28-10-11-29-26)3-5-23-17-21-15-19(7-9-25(21)33-23)27-30-12-13-31-27/h6-17H,1-5H2,(H,28,29)(H,30,31)
InChIKey
HNACKSYVYGANTF-UHFFFAOYSA-N
Compound name
2-[2-[5-[5-(1H-imidazol-2-yl)-1-benzofuran-2-yl]pentyl]-1-benzofuran-5-yl]-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.1899 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.19718 196.2
[M+Na]+ 459.17912 206.9
[M-H]- 435.18262 207.8
[M+NH4]+ 454.22372 205.4
[M+K]+ 475.15306 201.1
[M+H-H2O]+ 419.18716 188.7
[M+HCOO]- 481.18810 215.7
[M+CH3COO]- 495.20375 206.5
[M+Na-2H]- 457.16457 193.8
[M]+ 436.18935 203.8
[M]- 436.19045 203.8
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.