CID 228059

Nsc20649

Structural Information

Molecular Formula
C26H20N2O4S
SMILES
C1=CC=C(C(=C1)C=NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)N=CC4=CC=CC=C4O)O
InChI
InChI=1S/C26H20N2O4S/c29-25-7-3-1-5-19(25)17-27-21-9-13-23(14-10-21)33(31,32)24-15-11-22(12-16-24)28-18-20-6-2-4-8-26(20)30/h1-18,29-30H
InChIKey
GDUFOHWZCAUCQK-UHFFFAOYSA-N
Compound name
2-[[4-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

456.11438 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.12166 208.3
[M+Na]+ 479.10360 223.6
[M+NH4]+ 474.14820 214.8
[M+K]+ 495.07754 212.7
[M-H]- 455.10710 216.8
[M+Na-2H]- 477.08905 220.8
[M]+ 456.11383 213.5
[M]- 456.11493 213.5
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

patents stripe