CID 6448314

85986-74-9

Structural Information

Molecular Formula
C22H19ClN4O2
SMILES
CC1=CC(=C2C=C(C=CC2=N1)OC)NN3C(=N/C(=C\C4=CC(=CC=C4)Cl)/C3=O)C
InChI
InChI=1S/C22H19ClN4O2/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
VWNWOYDKFFNFSA-NHDPSOOVSA-N
Compound name
(5Z)-5-[(3-chlorophenyl)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

406.11966 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.12694 198.6
[M+Na]+ 429.10888 215.5
[M+NH4]+ 424.15348 205.5
[M+K]+ 445.08282 207.8
[M-H]- 405.11238 204.1
[M+Na-2H]- 427.09433 206.3
[M]+ 406.11911 202.9
[M]- 406.12021 202.9
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.