CID 15954606

1h-imidazole, 2-[2-[3-[4-[5-(4,5-dihydro-1h-imidazol-2-yl)-2-benzofuranyl]phenoxy]propoxy]phenyl]-4,5-dihydro-

Structural Information

Molecular Formula
C29H28N4O3
SMILES
C1CN=C(N1)C2=CC3=C(C=C2)OC(=C3)C4=CC=C(C=C4)OCCCOC5=CC=CC=C5C6=NCCN6
InChI
InChI=1S/C29H28N4O3/c1-2-5-26(24(4-1)29-32-14-15-33-29)35-17-3-16-34-23-9-6-20(7-10-23)27-19-22-18-21(8-11-25(22)36-27)28-30-12-13-31-28/h1-2,4-11,18-19H,3,12-17H2,(H,30,31)(H,32,33)
InChIKey
CPTVSKCILQSJNB-UHFFFAOYSA-N
Compound name
2-[2-[3-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenoxy]propoxy]phenyl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.21616 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.22344 207.2
[M+Na]+ 503.20538 212.6
[M-H]- 479.20888 217.8
[M+NH4]+ 498.24998 211.8
[M+K]+ 519.17932 205.9
[M+H-H2O]+ 463.21342 195.9
[M+HCOO]- 525.21436 222.0
[M+CH3COO]- 539.23001 214.3
[M+Na-2H]- 501.19083 203.2
[M]+ 480.21561 208.0
[M]- 480.21671 208.0
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.