CID 456159

Chembl1187260

Structural Information

Molecular Formula
C21H24N4O2
SMILES
C1CN=C(N1)C2=CC(=CC=C2)OCCCOC3=CC=CC(=C3)C4=NCCN4
InChI
InChI=1S/C21H24N4O2/c1-4-16(20-22-8-9-23-20)14-18(6-1)26-12-3-13-27-19-7-2-5-17(15-19)21-24-10-11-25-21/h1-2,4-7,14-15H,3,8-13H2,(H,22,23)(H,24,25)
InChIKey
NCEWZXDOTKILPH-UHFFFAOYSA-N
Compound name
2-[3-[3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propoxy]phenyl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

364.1899 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.19718 184.1
[M+Na]+ 387.17912 188.3
[M-H]- 363.18262 188.6
[M+NH4]+ 382.22372 192.0
[M+K]+ 403.15306 181.6
[M+H-H2O]+ 347.18716 172.1
[M+HCOO]- 409.18810 199.4
[M+CH3COO]- 423.20375 191.6
[M+Na-2H]- 385.16457 183.1
[M]+ 364.18935 181.0
[M]- 364.19045 181.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.