CID 6448315

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

Structural Information

Molecular Formula
C22H19ClN4O2
SMILES
CC1=CC(=C2C=C(C=CC2=N1)OC)NN3C(=N/C(=C\C4=CC=C(C=C4)Cl)/C3=O)C
InChI
InChI=1S/C22H19ClN4O2/c1-13-10-20(18-12-17(29-3)8-9-19(18)24-13)26-27-14(2)25-21(22(27)28)11-15-4-6-16(23)7-5-15/h4-12H,1-3H3,(H,24,26)/b21-11-
InChIKey
ZBJQDTYKMQFRSA-NHDPSOOVSA-N
Compound name
(5Z)-5-[(4-chlorophenyl)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

406.11966 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.126936 200.3
[M+Na]+ 429.108878 211.3
[M-H]- 405.112384 207.8
[M+NH4]+ 424.153483 210.7
[M+K]+ 445.082818 202.8
[M+H-H2O]+ 389.116920 189.3
[M+HCOO]- 451.117861 215.1
[M+CH3COO]- 465.133511 209.9
[M+Na-2H]- 427.094326 200.3
[M]+ 406.11911142 204.6
[M]- 406.12020858 204.6
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.