CID 3020948

85721-12-6

Structural Information

Molecular Formula
C21H23N3O7S2
SMILES
CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)N=NC2=C(C3=CC=CC=C3C(=C2)S(=O)(=O)O)O
InChI
InChI=1S/C21H23N3O7S2/c1-4-24(5-2)32(26,27)14-10-11-19(31-3)17(12-14)22-23-18-13-20(33(28,29)30)15-8-6-7-9-16(15)21(18)25/h6-13,25H,4-5H2,1-3H3,(H,28,29,30)
InChIKey
AYGCARMRWMGABG-UHFFFAOYSA-N
Compound name
3-[[5-(diethylsulfamoyl)-2-methoxyphenyl]diazenyl]-4-hydroxynaphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.09775 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.10503 210.0
[M+Na]+ 516.08697 218.6
[M+NH4]+ 511.13157 213.7
[M+K]+ 532.06091 211.6
[M-H]- 492.09047 212.2
[M+Na-2H]- 514.07242 215.6
[M]+ 493.09720 212.5
[M]- 493.09830 212.5
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.