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]+ 388.176806 196.5
[M+Na]+ 410.158748 206.0
[M-H]- 386.162254 204.0
[M+NH4]+ 405.203353 206.3
[M+K]+ 426.132688 198.5
[M+H-H2O]+ 370.166790 185.4
[M+HCOO]- 432.167731 216.5
[M+CH3COO]- 446.183381 205.9
[M+Na-2H]- 408.144196 197.1
[M]+ 387.16898142 197.2
[M]- 387.17007858 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.