CID 3516944

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

Structural Information

Molecular Formula
C34H24N2O4S
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

compound 2d structure
1
Annotation Hits

0
References

0
Patents

556.1457 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 557.15298 233.5
[M+Na]+ 579.13492 252.3
[M+NH4]+ 574.17952 241.0
[M+K]+ 595.10886 238.7
[M-H]- 555.13842 244.3
[M+Na-2H]- 577.12037 246.9
[M]+ 556.14515 240.1
[M]- 556.14625 240.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.