CID 16076166

6-chloro-2-(4-methoxyphenyl)-n-[(e)-(2-nitrophenyl)methyleneamino]quinoline-4-carboxamide

Structural Information

Molecular Formula
C24H17ClN4O4
SMILES
COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)N/N=C/C4=CC=CC=C4[N+](=O)[O-]
InChI
InChI=1S/C24H17ClN4O4/c1-33-18-9-6-15(7-10-18)22-13-20(19-12-17(25)8-11-21(19)27-22)24(30)28-26-14-16-4-2-3-5-23(16)29(31)32/h2-14H,1H3,(H,28,30)/b26-14+
InChIKey
JSFWFTQQBZHHBY-VULFUBBASA-N
Compound name
6-chloro-2-(4-methoxyphenyl)-N-[(E)-(2-nitrophenyl)methylideneamino]quinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

460.09384 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.10112 208.6
[M+Na]+ 483.08306 214.0
[M-H]- 459.08656 218.5
[M+NH4]+ 478.12766 215.6
[M+K]+ 499.05700 204.0
[M+H-H2O]+ 443.09110 201.3
[M+HCOO]- 505.09204 228.0
[M+CH3COO]- 519.10769 233.3
[M+Na-2H]- 481.06851 214.8
[M]+ 460.09329 211.5
[M]- 460.09439 211.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.