CID 105605

67786-13-4

Structural Information

Molecular Formula
C14H15N3O4S
SMILES
CCOC1=C(C=CC(=C1)N=NC2=CC(=CC=C2)S(=O)(=O)O)N
InChI
InChI=1S/C14H15N3O4S/c1-2-21-14-9-11(6-7-13(14)15)17-16-10-4-3-5-12(8-10)22(18,19)20/h3-9H,2,15H2,1H3,(H,18,19,20)
InChIKey
XUVUSLWXCRCJMP-UHFFFAOYSA-N
Compound name
3-[(4-amino-3-ethoxyphenyl)diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.07834 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.08562 171.3
[M+Na]+ 344.06756 181.8
[M+NH4]+ 339.11216 177.4
[M+K]+ 360.04150 174.9
[M-H]- 320.07106 175.3
[M+Na-2H]- 342.05301 178.7
[M]+ 321.07779 174.1
[M]- 321.07889 174.1
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.