PubChemLite - 4h-imidazol-4-one, 3,5-dihydro-5-((2,5-dimethoxyphenyl)methylene)-3-((6-methoxy-2-methyl-4-quinolinyl)amino)-2-methyl- (C24H24N4O4)

Structural Information

Molecular Formula

SMILES

CC1=CC(=C2C=C(C=CC2=N1)OC)NN3C(=N/C(=C\C4=C(C=CC(=C4)OC)OC)/C3=O)C

InChI

InChI=1S/C24H24N4O4/c1-14-10-21(19-13-18(31-4)6-8-20(19)25-14)27-28-15(2)26-22(24(28)29)12-16-11-17(30-3)7-9-23(16)32-5/h6-13H,1-5H3,(H,25,27)/b22-12-

InChIKey

IRGHKTVBADPATR-UUYOSTAYSA-N

Compound name

(5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-3-[(6-methoxy-2-methylquinolin-4-yl)amino]-2-methylimidazol-4-one

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	433.18703	207.7
[M+Na]+	455.16897	217.2
[M-H]-	431.17247	215.6
[M+NH4]+	450.21357	216.1
[M+K]+	471.14291	211.3
[M+H-H2O]+	415.17701	196.1
[M+HCOO]-	477.17795	226.6
[M+CH3COO]-	491.19360	234.7
[M+Na-2H]-	453.15442	206.8
[M]+	432.17920	213.5
[M]-	432.18030	213.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

433.18703

207.7

[M+Na]+

455.16897

217.2

[M-H]-

431.17247

215.6

[M+NH4]+

450.21357

216.1

[M+K]+

471.14291

211.3

[M+H-H2O]+

415.17701

196.1

[M+HCOO]-

477.17795

226.6

[M+CH3COO]-

491.19360

234.7

[M+Na-2H]-

453.15442

206.8

[M]+

432.17920

213.5

[M]-

432.18030

213.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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