CID 5278463

Chembl191299

Structural Information

Molecular Formula
C27H23ClN4O2
SMILES
C1CN(C(=O)N1CC2=NC(=CC=C2)COC3=CC=C(C=C3)C4=CC=C(C=C4)Cl)C5=CC=NC=C5
InChI
InChI=1S/C27H23ClN4O2/c28-22-8-4-20(5-9-22)21-6-10-26(11-7-21)34-19-24-3-1-2-23(30-24)18-31-16-17-32(27(31)33)25-12-14-29-15-13-25/h1-15H,16-19H2
InChIKey
QBLVCNWJPXIKSB-UHFFFAOYSA-N
Compound name
1-[[6-[[4-(4-chlorophenyl)phenoxy]methyl]pyridin-2-yl]methyl]-3-pyridin-4-ylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

470.15094 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.15822 215.3
[M+Na]+ 493.14016 222.5
[M-H]- 469.14366 224.8
[M+NH4]+ 488.18476 218.8
[M+K]+ 509.11410 213.0
[M+H-H2O]+ 453.14820 199.9
[M+HCOO]- 515.14914 226.4
[M+CH3COO]- 529.16479 222.0
[M+Na-2H]- 491.12561 213.7
[M]+ 470.15039 216.2
[M]- 470.15149 216.2
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

patents stripe