CID 6448328

4h-imidazol-4-one, 3,5-dihydro-5-((2-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=CC=C4Cl)/C3=O)C
InChI
InChI=1S/C22H19ClN4O2/c1-13-10-20(17-12-16(29-3)8-9-19(17)24-13)26-27-14(2)25-21(22(27)28)11-15-6-4-5-7-18(15)23/h4-12H,1-3H3,(H,24,26)/b21-11-
InChIKey
SZAIAJBETKUHBX-NHDPSOOVSA-N
Compound name
(5Z)-5-[(2-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]+ 407.12694 200.3
[M+Na]+ 429.10888 211.3
[M-H]- 405.11238 207.8
[M+NH4]+ 424.15348 210.7
[M+K]+ 445.08282 202.8
[M+H-H2O]+ 389.11692 189.3
[M+HCOO]- 451.11786 215.1
[M+CH3COO]- 465.13351 209.9
[M+Na-2H]- 427.09433 200.3
[M]+ 406.11911 204.6
[M]- 406.12021 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.