CID 6448326

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

Structural Information

Molecular Formula
C22H19N5O4
SMILES
CC1=CC(=C2C=C(C=CC2=N1)OC)NN3C(=N/C(=C\C4=CC=CC=C4[N+](=O)[O-])/C3=O)C
InChI
InChI=1S/C22H19N5O4/c1-13-10-19(17-12-16(31-3)8-9-18(17)23-13)25-26-14(2)24-20(22(26)28)11-15-6-4-5-7-21(15)27(29)30/h4-12H,1-3H3,(H,23,25)/b20-11-
InChIKey
IJKWPBBBGYRQKU-JAIQZWGSSA-N
Compound name
(5Z)-3-[(6-methoxy-2-methylquinolin-4-yl)amino]-2-methyl-5-[(2-nitrophenyl)methylidene]imidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.1437 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.15098 200.3
[M+Na]+ 440.13292 207.5
[M-H]- 416.13642 208.1
[M+NH4]+ 435.17752 207.8
[M+K]+ 456.10686 197.1
[M+H-H2O]+ 400.14096 193.1
[M+HCOO]- 462.14190 220.4
[M+CH3COO]- 476.15755 224.5
[M+Na-2H]- 438.11837 204.0
[M]+ 417.14315 200.5
[M]- 417.14425 200.5
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.