PubChemLite - 765274-00-8 (C26H16Cl3N3O4)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)C=CC(=C2/C=N/NC(=O)C(=O)NC3=CC=C(C=C3)Cl)OC(=O)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C26H16Cl3N3O4/c27-16-6-9-18(10-7-16)31-24(33)25(34)32-30-14-21-19-4-2-1-3-15(19)5-12-23(21)36-26(35)20-11-8-17(28)13-22(20)29/h1-14H,(H,31,33)(H,32,34)/b30-14+

InChIKey

LDPHZNMAPNOQBD-AMVVHIIESA-N

Compound name

[1-[(E)-[[2-(4-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]naphthalen-2-yl] 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]+	540.02788	221.1
[M+Na]+	562.00982	228.4
[M-H]-	538.01332	230.8
[M+NH4]+	557.05442	228.5
[M+K]+	577.98376	222.2
[M+H-H2O]+	522.01786	212.6
[M+HCOO]-	584.01880	230.6
[M+CH3COO]-	598.03445	250.1
[M+Na-2H]-	559.99527	221.7
[M]+	539.02005	228.4
[M]-	539.02115	228.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

540.02788

221.1

[M+Na]+

562.00982

228.4

[M-H]-

538.01332

230.8

[M+NH4]+

557.05442

228.5

[M+K]+

577.98376

222.2

[M+H-H2O]+

522.01786

212.6

[M+HCOO]-

584.01880

230.6

[M+CH3COO]-

598.03445

250.1

[M+Na-2H]-

559.99527

221.7

[M]+

539.02005

228.4

[M]-

539.02115

228.4

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

765274-00-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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