PubChemLite - Akos024411262 (C24H19Br2N3O5)

Structural Information

Molecular Formula

SMILES

CCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C24H19Br2N3O5/c1-2-33-20-10-3-15(4-11-20)24(32)34-21-12-7-18(26)13-16(21)14-27-29-23(31)22(30)28-19-8-5-17(25)6-9-19/h3-14H,2H2,1H3,(H,28,30)(H,29,31)/b27-14+

InChIKey

NLAQUTYVFNTACL-MZJWZYIUSA-N

Compound name

[4-bromo-2-[(E)-[[2-(4-bromoanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate

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]+	587.97648	205.4
[M+Na]+	609.95842	209.6
[M-H]-	585.96192	215.9
[M+NH4]+	605.00302	213.2
[M+K]+	625.93236	195.1
[M+H-H2O]+	569.96646	207.2
[M+HCOO]-	631.96740	221.1
[M+CH3COO]-	645.98305	249.2
[M+Na-2H]-	607.94387	206.5
[M]+	586.96865	240.1
[M]-	586.96975	240.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

587.97648

205.4

[M+Na]+

609.95842

209.6

[M-H]-

585.96192

215.9

[M+NH4]+

605.00302

213.2

[M+K]+

625.93236

195.1

[M+H-H2O]+

569.96646

207.2

[M+HCOO]-

631.96740

221.1

[M+CH3COO]-

645.98305

249.2

[M+Na-2H]-

607.94387

206.5

[M]+

586.96865

240.1

[M]-

586.96975

240.1

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

Akos024411262

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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