PubChemLite - 4-(2-((4-ethoxyanilino)(oxo)acetyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate (C24H19Cl2N3O5)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C24H19Cl2N3O5/c1-2-33-18-10-6-17(7-11-18)28-22(30)23(31)29-27-14-15-3-8-19(9-4-15)34-24(32)20-12-5-16(25)13-21(20)26/h3-14H,2H2,1H3,(H,28,30)(H,29,31)/b27-14+

InChIKey

XCXPUVPFRNTIKI-MZJWZYIUSA-N

Compound name

[4-[(E)-[[2-(4-ethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2,4-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]+	500.07748	215.3
[M+Na]+	522.05942	221.2
[M-H]-	498.06292	225.6
[M+NH4]+	517.10402	223.0
[M+K]+	538.03336	216.2
[M+H-H2O]+	482.06746	206.0
[M+HCOO]-	544.06840	231.5
[M+CH3COO]-	558.08405	244.1
[M+Na-2H]-	520.04487	215.4
[M]+	499.06965	223.0
[M]-	499.07075	223.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

500.07748

215.3

[M+Na]+

522.05942

221.2

[M-H]-

498.06292

225.6

[M+NH4]+

517.10402

223.0

[M+K]+

538.03336

216.2

[M+H-H2O]+

482.06746

206.0

[M+HCOO]-

544.06840

231.5

[M+CH3COO]-

558.08405

244.1

[M+Na-2H]-

520.04487

215.4

[M]+

499.06965

223.0

[M]-

499.07075

223.0

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

4-(2-((4-ethoxyanilino)(oxo)acetyl)carbohydrazonoyl)phenyl 2,4-dichlorobenzoate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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