CID 15954596

1h-imidazole, 2-[4-[[4-[6-(4,5-dihydro-1h-imidazol-2-yl)-2-benzofuranyl]phenoxy]methoxy]phenyl]-4,5-dihydro-

Structural Information

Molecular Formula
C27H24N4O3
SMILES
C1CN=C(N1)C2=CC=C(C=C2)OCOC3=CC=CC(=C3)C4=CC5=C(O4)C=CC(=C5)C6=NCCN6
InChI
InChI=1S/C27H24N4O3/c1-2-19(25-16-21-14-20(6-9-24(21)34-25)27-30-12-13-31-27)15-23(3-1)33-17-32-22-7-4-18(5-8-22)26-28-10-11-29-26/h1-9,14-16H,10-13,17H2,(H,28,29)(H,30,31)
InChIKey
GAFWAHWSWXYMQG-UHFFFAOYSA-N
Compound name
2-[4-[[3-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenoxy]methoxy]phenyl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.18484 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.19212 199.2
[M+Na]+ 475.17406 205.6
[M-H]- 451.17756 210.2
[M+NH4]+ 470.21866 205.0
[M+K]+ 491.14800 199.2
[M+H-H2O]+ 435.18210 188.3
[M+HCOO]- 497.18304 214.8
[M+CH3COO]- 511.19869 207.2
[M+Na-2H]- 473.15951 196.2
[M]+ 452.18429 199.5
[M]- 452.18539 199.5
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.