CID 15954612

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

Structural Information

Molecular Formula
C30H30N4O3
SMILES
C1CN=C(N1)C2=CC3=C(C=C2)OC(=C3)C4=CC=C(C=C4)OCCCCOC5=CC=CC=C5C6=NCCN6
InChI
InChI=1S/C30H30N4O3/c1-2-6-27(25(5-1)30-33-15-16-34-30)36-18-4-3-17-35-24-10-7-21(8-11-24)28-20-23-19-22(9-12-26(23)37-28)29-31-13-14-32-29/h1-2,5-12,19-20H,3-4,13-18H2,(H,31,32)(H,33,34)
InChIKey
BORDJBCJIDXJRS-UHFFFAOYSA-N
Compound name
2-[2-[4-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenoxy]butoxy]phenyl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

494.23178 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.23906 211.1
[M+Na]+ 517.22100 216.0
[M-H]- 493.22450 221.6
[M+NH4]+ 512.26560 215.2
[M+K]+ 533.19494 209.2
[M+H-H2O]+ 477.22904 199.7
[M+HCOO]- 539.22998 225.6
[M+CH3COO]- 553.24563 217.8
[M+Na-2H]- 515.20645 206.7
[M]+ 494.23123 212.2
[M]- 494.23233 212.2
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.