CID 3019187

83399-81-9

Structural Information

Molecular Formula
C28H28N4O5S
SMILES
CCOC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=C(C=CC(=C4)S(=O)(=O)N(C)C)C
InChI
InChI=1S/C28H28N4O5S/c1-5-37-25-13-9-8-12-23(25)29-28(34)22-16-19-10-6-7-11-21(19)26(27(22)33)31-30-24-17-20(15-14-18(24)2)38(35,36)32(3)4/h6-17,33H,5H2,1-4H3,(H,29,34)
InChIKey
IJSNKMYMVCHZJC-UHFFFAOYSA-N
Compound name
4-[[5-(dimethylsulfamoyl)-2-methylphenyl]diazenyl]-N-(2-ethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

532.17804 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.18532 225.7
[M+Na]+ 555.16726 237.4
[M+NH4]+ 550.21186 230.6
[M+K]+ 571.14120 228.9
[M-H]- 531.17076 233.1
[M+Na-2H]- 553.15271 234.6
[M]+ 532.17749 229.8
[M]- 532.17859 229.8
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.