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]+ 322.085616 170.2
[M+Na]+ 344.067558 177.9
[M-H]- 320.071064 178.2
[M+NH4]+ 339.112163 184.3
[M+K]+ 360.041498 174.2
[M+H-H2O]+ 304.075600 161.6
[M+HCOO]- 366.076541 192.8
[M+CH3COO]- 380.092191 212.2
[M+Na-2H]- 342.053006 175.4
[M]+ 321.07779142 174.0
[M]- 321.07888858 174.0
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.