CID 16076152

2-(4-bromophenyl)-n-[(e)-(2-nitrophenyl)methyleneamino]quinoline-4-carboxamide

Structural Information

Molecular Formula
C23H15BrN4O3
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br)[N+](=O)[O-]
InChI
InChI=1S/C23H15BrN4O3/c24-17-11-9-15(10-12-17)21-13-19(18-6-2-3-7-20(18)26-21)23(29)27-25-14-16-5-1-4-8-22(16)28(30)31/h1-14H,(H,27,29)/b25-14+
InChIKey
XDLYPCVJVFHQEF-AFUMVMLFSA-N
Compound name
2-(4-bromophenyl)-N-[(E)-(2-nitrophenyl)methylideneamino]quinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

474.03275 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.04003 202.9
[M+Na]+ 497.02197 209.3
[M-H]- 473.02547 214.5
[M+NH4]+ 492.06657 212.2
[M+K]+ 512.99591 192.9
[M+H-H2O]+ 457.03001 200.9
[M+HCOO]- 519.03095 224.1
[M+CH3COO]- 533.04660 230.5
[M+Na-2H]- 495.00742 210.8
[M]+ 474.03220 219.9
[M]- 474.03330 219.9
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.