CID 6448320

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

Structural Information

Molecular Formula
C22H20N4O3
SMILES
CC1=CC(=C2C=C(C=CC2=N1)OC)NN3C(=N/C(=C\C4=CC=C(C=C4)O)/C3=O)C
InChI
InChI=1S/C22H20N4O3/c1-13-10-20(18-12-17(29-3)8-9-19(18)23-13)25-26-14(2)24-21(22(26)28)11-15-4-6-16(27)7-5-15/h4-12,27H,1-3H3,(H,23,25)/b21-11-
InChIKey
PHVAZBRPESYMKV-NHDPSOOVSA-N
Compound name
(5Z)-5-[(4-hydroxyphenyl)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

388.15353 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.16081 195.7
[M+Na]+ 411.14275 205.3
[M-H]- 387.14625 202.3
[M+NH4]+ 406.18735 205.2
[M+K]+ 427.11669 198.1
[M+H-H2O]+ 371.15079 184.9
[M+HCOO]- 433.15173 213.9
[M+CH3COO]- 447.16738 205.0
[M+Na-2H]- 409.12820 196.1
[M]+ 388.15298 197.5
[M]- 388.15408 197.5
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.