PubChemLite - 765285-88-9 (C26H22Cl2N2O5)

Structural Information

Molecular Formula

SMILES

CC(C(=O)N/N=C/C1=CC(=C(C=C1)OC(=O)/C=C/C2=CC=CC=C2)OC)OC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C26H22Cl2N2O5/c1-17(34-22-12-10-20(27)15-21(22)28)26(32)30-29-16-19-8-11-23(24(14-19)33-2)35-25(31)13-9-18-6-4-3-5-7-18/h3-17H,1-2H3,(H,30,32)/b13-9+,29-16+

InChIKey

IKNANDMFTVLOGB-ZQJDJTLGSA-N

Compound name

[4-[(E)-[2-(2,4-dichlorophenoxy)propanoylhydrazinylidene]methyl]-2-methoxyphenyl] (E)-3-phenylprop-2-enoate

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]+	513.09788	219.7
[M+Na]+	535.07982	225.6
[M-H]-	511.08332	229.6
[M+NH4]+	530.12442	227.1
[M+K]+	551.05376	219.9
[M+H-H2O]+	495.08786	210.1
[M+HCOO]-	557.08880	234.1
[M+CH3COO]-	571.10445	245.1
[M+Na-2H]-	533.06527	218.2
[M]+	512.09005	228.7
[M]-	512.09115	228.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

513.09788

219.7

[M+Na]+

535.07982

225.6

[M-H]-

511.08332

229.6

[M+NH4]+

530.12442

227.1

[M+K]+

551.05376

219.9

[M+H-H2O]+

495.08786

210.1

[M+HCOO]-

557.08880

234.1

[M+CH3COO]-

571.10445

245.1

[M+Na-2H]-

533.06527

218.2

[M]+

512.09005

228.7

[M]-

512.09115

228.7

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

765285-88-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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