CID 6448316

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

Structural Information

Molecular Formula
C22H19FN4O2
SMILES
CC1=CC(=C2C=C(C=CC2=N1)OC)NN3C(=N/C(=C\C4=CC(=CC=C4)F)/C3=O)C
InChI
InChI=1S/C22H19FN4O2/c1-13-9-20(18-12-17(29-3)7-8-19(18)24-13)26-27-14(2)25-21(22(27)28)11-15-5-4-6-16(23)10-15/h4-12H,1-3H3,(H,24,26)/b21-11-
InChIKey
SABZICPBGIMKEU-NHDPSOOVSA-N
Compound name
(5Z)-5-[(3-fluorophenyl)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

390.1492 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.15648 196.1
[M+Na]+ 413.13842 206.6
[M-H]- 389.14192 202.6
[M+NH4]+ 408.18302 206.3
[M+K]+ 429.11236 198.7
[M+H-H2O]+ 373.14646 184.1
[M+HCOO]- 435.14740 214.6
[M+CH3COO]- 449.16305 205.6
[M+Na-2H]- 411.12387 196.1
[M]+ 390.14865 197.3
[M]- 390.14975 197.3
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.