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 209.6
[M+Na]+ 479.10360 216.2
[M-H]- 455.10710 222.0
[M+NH4]+ 474.14820 217.0
[M+K]+ 495.07754 208.9
[M+H-H2O]+ 439.11164 198.3
[M+HCOO]- 501.11258 229.0
[M+CH3COO]- 515.12823 233.0
[M+Na-2H]- 477.08905 213.5
[M]+ 456.11383 211.5
[M]- 456.11493 211.5
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