PubChemLite - 2-(4-bromophenyl)-6-chloro-n-[(e)-(2-nitrophenyl)methyleneamino]quinoline-4-carboxamide (C23H14BrClN4O3)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C(=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/c24-16-7-5-14(6-8-16)21-12-19(18-11-17(25)9-10-20(18)27-21)23(30)28-26-13-15-3-1-2-4-22(15)29(31)32/h1-13H,(H,28,30)/b26-13+

InChIKey

DEPBQDCJJQRGEW-LGJNPRDNSA-N

Compound name

2-(4-bromophenyl)-6-chloro-N-[(E)-(2-nitrophenyl)methylideneamino]quinoline-4-carboxamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Adduct

m/z

Predicted CCS (Å²)

[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 (Å²) per adduct calculated using CCSbase.

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe