PubChemLite - 4,4'-bis(n-(2-hydroxy-1-naphthylmethylene)amino)diphenyl sulfone (C34H24N2O4S)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)C=CC(=C2C=NC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)N=CC5=C(C=CC6=CC=CC=C65)O)O

InChI

InChI=1S/C34H24N2O4S/c37-33-19-9-23-5-1-3-7-29(23)31(33)21-35-25-11-15-27(16-12-25)41(39,40)28-17-13-26(14-18-28)36-22-32-30-8-4-2-6-24(30)10-20-34(32)38/h1-22,37-38H

InChIKey

KVRFEHSUTMNNRW-UHFFFAOYSA-N

Compound name

1-[[4-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]naphthalen-2-ol

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]+	557.15298	234.8
[M+Na]+	579.13492	242.3
[M-H]-	555.13842	248.2
[M+NH4]+	574.17952	239.7
[M+K]+	595.10886	234.2
[M+H-H2O]+	539.14296	221.8
[M+HCOO]-	601.14390	251.3
[M+CH3COO]-	615.15955	241.5
[M+Na-2H]-	577.12037	241.1
[M]+	556.14515	238.4
[M]-	556.14625	238.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

557.15298

234.8

[M+Na]+

579.13492

242.3

[M-H]-

555.13842

248.2

[M+NH4]+

574.17952

239.7

[M+K]+

595.10886

234.2

[M+H-H2O]+

539.14296

221.8

[M+HCOO]-

601.14390

251.3

[M+CH3COO]-

615.15955

241.5

[M+Na-2H]-

577.12037

241.1

[M]+

556.14515

238.4

[M]-

556.14625

238.4

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

4,4'-bis(n-(2-hydroxy-1-naphthylmethylene)amino)diphenyl sulfone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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