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

literature stripe

Patent stripe

patents stripe