CID 6448321

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

Structural Information

Molecular Formula
C23H22N4O3
SMILES
CC1=CC(=C2C=C(C=CC2=N1)OC)NN3C(=N/C(=C\C4=CC=CC=C4OC)/C3=O)C
InChI
InChI=1S/C23H22N4O3/c1-14-11-20(18-13-17(29-3)9-10-19(18)24-14)26-27-15(2)25-21(23(27)28)12-16-7-5-6-8-22(16)30-4/h5-13H,1-4H3,(H,24,26)/b21-12-
InChIKey
JCZFEEVWWKHRRV-MTJSOVHGSA-N
Compound name
(5Z)-3-[(6-methoxy-2-methylquinolin-4-yl)amino]-5-[(2-methoxyphenyl)methylidene]-2-methylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.1692 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.17648 200.1
[M+Na]+ 425.15842 209.6
[M-H]- 401.16192 207.8
[M+NH4]+ 420.20302 209.6
[M+K]+ 441.13236 202.9
[M+H-H2O]+ 385.16646 188.6
[M+HCOO]- 447.16740 219.3
[M+CH3COO]- 461.18305 209.5
[M+Na-2H]- 423.14387 200.3
[M]+ 402.16865 203.8
[M]- 402.16975 203.8
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.