CID 15954618

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

Structural Information

Molecular Formula
C31H32N4O3
SMILES
C1CN=C(N1)C2=CC3=C(C=C2)OC(=C3)C4=CC=C(C=C4)OCCCCCOC5=CC=CC=C5C6=NCCN6
InChI
InChI=1S/C31H32N4O3/c1(5-19-37-28-7-3-2-6-26(28)31-34-16-17-35-31)4-18-36-25-11-8-22(9-12-25)29-21-24-20-23(10-13-27(24)38-29)30-32-14-15-33-30/h2-3,6-13,20-21H,1,4-5,14-19H2,(H,32,33)(H,34,35)
InChIKey
OFYHNZJFCDGKOL-UHFFFAOYSA-N
Compound name
2-[2-[5-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenoxy]pentoxy]phenyl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

508.24744 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.25472 215.1
[M+Na]+ 531.23666 219.5
[M-H]- 507.24016 225.3
[M+NH4]+ 526.28126 218.5
[M+K]+ 547.21060 212.5
[M+H-H2O]+ 491.24470 203.4
[M+HCOO]- 553.24564 229.2
[M+CH3COO]- 567.26129 221.3
[M+Na-2H]- 529.22211 210.2
[M]+ 508.24689 216.4
[M]- 508.24799 216.4
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.