CID 6448324

4h-imidazol-4-one, 3,5-dihydro-5-(1,3-benzodioxol-5-ylmethylene)-3-(((6-methoxy-2-methyl-4-quinolinyl)amino)-2-methyl-

Structural Information

Molecular Formula
C23H20N4O4
SMILES
CC1=CC(=C2C=C(C=CC2=N1)OC)NN3C(=N/C(=C\C4=CC5=C(C=C4)OCO5)/C3=O)C
InChI
InChI=1S/C23H20N4O4/c1-13-8-19(17-11-16(29-3)5-6-18(17)24-13)26-27-14(2)25-20(23(27)28)9-15-4-7-21-22(10-15)31-12-30-21/h4-11H,12H2,1-3H3,(H,24,26)/b20-9-
InChIKey
HAXHMTMBSXFPML-UKWGHVSLSA-N
Compound name
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-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

416.14847 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.15575 201.1
[M+Na]+ 439.13769 211.0
[M-H]- 415.14119 211.4
[M+NH4]+ 434.18229 210.1
[M+K]+ 455.11163 206.9
[M+H-H2O]+ 399.14573 191.5
[M+HCOO]- 461.14667 217.8
[M+CH3COO]- 475.16232 211.0
[M+Na-2H]- 437.12314 200.5
[M]+ 416.14792 205.9
[M]- 416.14902 205.9
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.