PubChemLite - 769147-51-5 (C24H19Cl2N3O6)

Structural Information

Molecular Formula

SMILES

COC1=CC=CC(=C1)NC(=O)C(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=CC(=C(C=C3)Cl)Cl)OC

InChI

InChI=1S/C24H19Cl2N3O6/c1-33-17-5-3-4-16(12-17)28-22(30)23(31)29-27-13-14-6-9-20(21(10-14)34-2)35-24(32)15-7-8-18(25)19(26)11-15/h3-13H,1-2H3,(H,28,30)(H,29,31)/b27-13+

InChIKey

UZHJZWRRNSTZEO-UVHMKAGCSA-N

Compound name

[2-methoxy-4-[(E)-[[2-(3-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3,4-dichlorobenzoate

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]+	516.07234	217.3
[M+Na]+	538.05428	223.8
[M-H]-	514.05778	228.0
[M+NH4]+	533.09888	224.5
[M+K]+	554.02822	219.8
[M+H-H2O]+	498.06232	208.0
[M+HCOO]-	560.06326	233.6
[M+CH3COO]-	574.07891	247.6
[M+Na-2H]-	536.03973	217.0
[M]+	515.06451	226.8
[M]-	515.06561	226.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

516.07234

217.3

[M+Na]+

538.05428

223.8

[M-H]-

514.05778

228.0

[M+NH4]+

533.09888

224.5

[M+K]+

554.02822

219.8

[M+H-H2O]+

498.06232

208.0

[M+HCOO]-

560.06326

233.6

[M+CH3COO]-

574.07891

247.6

[M+Na-2H]-

536.03973

217.0

[M]+

515.06451

226.8

[M]-

515.06561

226.8

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

769147-51-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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