PubChemLite - 767289-27-0 (C26H16BrCl2N3O4)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C26H16BrCl2N3O4/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

ZEMSITFOSLPWRJ-AMVVHIIESA-N

Compound name

[1-[(E)-[[2-(4-bromoanilino)-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]+	583.97738	222.1
[M+Na]+	605.95932	231.1
[M-H]-	581.96282	234.5
[M+NH4]+	601.00392	231.1
[M+K]+	621.93326	217.7
[M+H-H2O]+	565.96736	218.2
[M+HCOO]-	627.96830	234.2
[M+CH3COO]-	641.98395	251.9
[M+Na-2H]-	603.94477	224.3
[M]+	582.96955	245.6
[M]-	582.97065	245.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

583.97738

222.1

[M+Na]+

605.95932

231.1

[M-H]-

581.96282

234.5

[M+NH4]+

601.00392

231.1

[M+K]+

621.93326

217.7

[M+H-H2O]+

565.96736

218.2

[M+HCOO]-

627.96830

234.2

[M+CH3COO]-

641.98395

251.9

[M+Na-2H]-

603.94477

224.3

[M]+

582.96955

245.6

[M]-

582.97065

245.6

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

767289-27-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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