CID 3639623

4,4'-sulfonylbis(n-(2-hydroxy-3-methoxybenzylidene)aniline)

Structural Information

Molecular Formula
C28H24N2O6S
SMILES
COC1=CC=CC(=C1O)C=NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)N=CC4=C(C(=CC=C4)OC)O
InChI
InChI=1S/C28H24N2O6S/c1-35-25-7-3-5-19(27(25)31)17-29-21-9-13-23(14-10-21)37(33,34)24-15-11-22(12-16-24)30-18-20-6-4-8-26(36-2)28(20)32/h3-18,31-32H,1-2H3
InChIKey
HOFWHFFFGOJEIS-UHFFFAOYSA-N
Compound name
2-[[4-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-6-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

516.1355 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.14278 223.6
[M+Na]+ 539.12472 238.2
[M+NH4]+ 534.16932 228.6
[M+K]+ 555.09866 228.3
[M-H]- 515.12822 231.3
[M+Na-2H]- 537.11017 234.4
[M]+ 516.13495 228.4
[M]- 516.13605 228.4
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.