PubChemLite - 765911-33-9 (C24H19Cl2N3O5)

Structural Information

Molecular Formula

SMILES

CC1=C(C=CC=C1Cl)NC(=O)C(=O)N/N=C/C2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl)OC

InChI

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

InChIKey

WGRLMPGLDDKZGV-UVHMKAGCSA-N

Compound name

[4-[(E)-[[2-(3-chloro-2-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-chlorobenzoate

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	215.9
[M+Na]+	522.05942	222.6
[M-H]-	498.06292	226.5
[M+NH4]+	517.10402	223.8
[M+K]+	538.03336	217.7
[M+H-H2O]+	482.06746	206.8
[M+HCOO]-	544.06840	231.9
[M+CH3COO]-	558.08405	245.5
[M+Na-2H]-	520.04487	215.1
[M]+	499.06965	224.0
[M]-	499.07075	224.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

500.07748

215.9

[M+Na]+

522.05942

222.6

[M-H]-

498.06292

226.5

[M+NH4]+

517.10402

223.8

[M+K]+

538.03336

217.7

[M+H-H2O]+

482.06746

206.8

[M+HCOO]-

544.06840

231.9

[M+CH3COO]-

558.08405

245.5

[M+Na-2H]-

520.04487

215.1

[M]+

499.06965

224.0

[M]-

499.07075

224.0

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

765911-33-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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