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 224.6
[M+Na]+ 539.12472 230.9
[M-H]- 515.12822 237.2
[M+NH4]+ 534.16932 229.6
[M+K]+ 555.09866 225.3
[M+H-H2O]+ 499.13276 212.4
[M+HCOO]- 561.13370 243.4
[M+CH3COO]- 575.14935 245.8
[M+Na-2H]- 537.11017 226.9
[M]+ 516.13495 230.5
[M]- 516.13605 230.5
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.