PubChemLite - 4-bromo-2-((2-(2-oxo-2-(phenylamino)acetyl)hydrazono)methyl)phenyl 3,4-dimethoxybenzoate (C24H20BrN3O6)

Structural Information

Molecular Formula

SMILES

COC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N\NC(=O)C(=O)NC3=CC=CC=C3)OC

InChI

InChI=1S/C24H20BrN3O6/c1-32-20-10-8-15(13-21(20)33-2)24(31)34-19-11-9-17(25)12-16(19)14-26-28-23(30)22(29)27-18-6-4-3-5-7-18/h3-14H,1-2H3,(H,27,29)(H,28,30)/b26-14-

InChIKey

HJPOYELRDMJOHX-WGARJPEWSA-N

Compound name

[2-[(Z)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]-4-bromophenyl] 3,4-dimethoxybenzoate

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]+	526.06078	211.5
[M+Na]+	548.04272	217.1
[M-H]-	524.04622	223.6
[M+NH4]+	543.08732	219.7
[M+K]+	564.01666	207.3
[M+H-H2O]+	508.05076	205.1
[M+HCOO]-	570.05170	233.5
[M+CH3COO]-	584.06735	245.4
[M+Na-2H]-	546.02817	213.3
[M]+	525.05295	233.3
[M]-	525.05405	233.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

526.06078

211.5

[M+Na]+

548.04272

217.1

[M-H]-

524.04622

223.6

[M+NH4]+

543.08732

219.7

[M+K]+

564.01666

207.3

[M+H-H2O]+

508.05076

205.1

[M+HCOO]-

570.05170

233.5

[M+CH3COO]-

584.06735

245.4

[M+Na-2H]-

546.02817

213.3

[M]+

525.05295

233.3

[M]-

525.05405

233.3

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

4-bromo-2-((2-(2-oxo-2-(phenylamino)acetyl)hydrazono)methyl)phenyl 3,4-dimethoxybenzoate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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