CID 6448329

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

Structural Information

Molecular Formula
C22H21N5O2
SMILES
CC1=CC(=C2C=C(C=CC2=N1)OC)NN3C(=N/C(=C\C4=CC=C(C=C4)N)/C3=O)C
InChI
InChI=1S/C22H21N5O2/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,23H2,1-3H3,(H,24,26)/b21-11-
InChIKey
SEOKQZNOBDPPDH-NHDPSOOVSA-N
Compound name
(5Z)-5-[(4-aminophenyl)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

387.16953 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.17681 196.5
[M+Na]+ 410.15875 206.0
[M-H]- 386.16225 204.0
[M+NH4]+ 405.20335 206.3
[M+K]+ 426.13269 198.5
[M+H-H2O]+ 370.16679 185.4
[M+HCOO]- 432.16773 216.5
[M+CH3COO]- 446.18338 205.9
[M+Na-2H]- 408.14420 197.1
[M]+ 387.16898 197.2
[M]- 387.17008 197.2
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.