PubChemLite - 4-br-2-(2-(4-((4-chlorobenzyl)oxy)benzoyl)carbohydrazonoyl)ph 4-ethoxybenzoate (C30H24BrClN2O5)

Structural Information

Molecular Formula

SMILES

CCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C30H24BrClN2O5/c1-2-37-26-14-7-22(8-15-26)30(36)39-28-16-9-24(31)17-23(28)18-33-34-29(35)21-5-12-27(13-6-21)38-19-20-3-10-25(32)11-4-20/h3-18H,2,19H2,1H3,(H,34,35)/b33-18+

InChIKey

DOSTVXNPZWKCBN-DPNNOFEESA-N

Compound name

[4-bromo-2-[(E)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate

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]+	607.06298	235.4
[M+Na]+	629.04492	242.2
[M-H]-	605.04842	249.8
[M+NH4]+	624.08952	241.6
[M+K]+	645.01886	230.0
[M+H-H2O]+	589.05296	229.1
[M+HCOO]-	651.05390	251.9
[M+CH3COO]-	665.06955	255.8
[M+Na-2H]-	627.03037	235.7
[M]+	606.05515	260.1
[M]-	606.05625	260.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

607.06298

235.4

[M+Na]+

629.04492

242.2

[M-H]-

605.04842

249.8

[M+NH4]+

624.08952

241.6

[M+K]+

645.01886

230.0

[M+H-H2O]+

589.05296

229.1

[M+HCOO]-

651.05390

251.9

[M+CH3COO]-

665.06955

255.8

[M+Na-2H]-

627.03037

235.7

[M]+

606.05515

260.1

[M]-

606.05625

260.1

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

4-br-2-(2-(4-((4-chlorobenzyl)oxy)benzoyl)carbohydrazonoyl)ph 4-ethoxybenzoate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe