CID 16076163

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

Structural Information

Molecular Formula
C23H14BrClN4O3
SMILES
C1=CC(=CC=C1/C=N/NC(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)Br)[N+](=O)[O-]
InChI
InChI=1S/C23H14BrClN4O3/c24-16-5-3-15(4-6-16)22-12-20(19-11-17(25)7-10-21(19)27-22)23(30)28-26-13-14-1-8-18(9-2-14)29(31)32/h1-13H,(H,28,30)/b26-13+
InChIKey
PQHDCLGBCWPAEI-LGJNPRDNSA-N
Compound name
2-(4-bromophenyl)-6-chloro-N-[(E)-(4-nitrophenyl)methylideneamino]quinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

507.99377 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.00105 210.2
[M+Na]+ 530.98299 218.2
[M-H]- 506.98649 221.8
[M+NH4]+ 526.02759 219.4
[M+K]+ 546.95693 200.6
[M+H-H2O]+ 490.99103 209.0
[M+HCOO]- 552.99197 227.1
[M+CH3COO]- 567.00762 234.8
[M+Na-2H]- 528.96844 216.9
[M]+ 507.99322 230.1
[M]- 507.99432 230.1
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.