CID 6448317

4h-imidazol-4-one, 3,5-dihydro-5-((3,4-dichlorophenyl)methylene)-3-((6-methoxy-2-methyl-4-quinolinyl)amino)-2-methyl-

Structural Information

Molecular Formula
C22H18Cl2N4O2
SMILES
CC1=CC(=C2C=C(C=CC2=N1)OC)NN3C(=N/C(=C\C4=CC(=C(C=C4)Cl)Cl)/C3=O)C
InChI
InChI=1S/C22H18Cl2N4O2/c1-12-8-20(16-11-15(30-3)5-7-19(16)25-12)27-28-13(2)26-21(22(28)29)10-14-4-6-17(23)18(24)9-14/h4-11H,1-3H3,(H,25,27)/b21-10-
InChIKey
PSYLNZBGUORFQE-FBHDLOMBSA-N
Compound name
(5Z)-5-[(3,4-dichlorophenyl)methylidene]-3-[(6-methoxy-2-methylquinolin-4-yl)amino]-2-methylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.0807 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.08798 206.9
[M+Na]+ 463.06992 218.9
[M-H]- 439.07342 213.7
[M+NH4]+ 458.11452 216.7
[M+K]+ 479.04386 209.9
[M+H-H2O]+ 423.07796 196.3
[M+HCOO]- 485.07890 216.4
[M+CH3COO]- 499.09455 215.9
[M+Na-2H]- 461.05537 205.3
[M]+ 440.08015 212.9
[M]- 440.08125 212.9
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.