CID 9630332

2-ethoxy-4-(2-((4-methylphenyl)sulfonyl)carbohydrazonoyl)ph 4-methoxybenzoate

Structural Information

Molecular Formula

C₂₄H₂₄N₂O₆S

SMILES

CCOC1=C(C=CC(=C1)/C=N/NS(=O)(=O)C2=CC=C(C=C2)C)OC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C24H24N2O6S/c1-4-31-23-15-18(16-25-26-33(28,29)21-12-5-17(2)6-13-21)7-14-22(23)32-24(27)19-8-10-20(30-3)11-9-19/h5-16,26H,4H2,1-3H3/b25-16+

InChIKey

XAWMTZPWJQDRDT-PCLIKHOPSA-N

Compound name

[2-ethoxy-4-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]phenyl] 4-methoxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 468.1355 Da
Monoisotopic Mass: 4.6
XlogP (predicted)

Profile

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]+	469.142776	211.2
[M+Na]+	491.124718	216.7
[M-H]-	467.128224	221.9
[M+NH4]+	486.169323	219.0
[M+K]+	507.098658	212.9
[M+H-H2O]+	451.132760	200.2
[M+HCOO]-	513.133701	230.8
[M+CH3COO]-	527.149351	238.2
[M+Na-2H]-	489.110166	213.5
[M]+	468.13495142	219.1
[M]-	468.13604858	219.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.