CID 9561091

5448-75-9

Structural Information

Molecular Formula
C14H13N3O4S
SMILES
C1OC2=C(O1)C=C(C=C2)/C=N/NS(=O)(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C14H13N3O4S/c15-11-2-4-12(5-3-11)22(18,19)17-16-8-10-1-6-13-14(7-10)21-9-20-13/h1-8,17H,9,15H2/b16-8+
InChIKey
SLPFHVAXJGXOMS-LZYBPNLTSA-N
Compound name
4-amino-N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

319.06268 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.06996 168.6
[M+Na]+ 342.05190 176.6
[M-H]- 318.05540 178.7
[M+NH4]+ 337.09650 183.0
[M+K]+ 358.02584 174.9
[M+H-H2O]+ 302.05994 161.7
[M+HCOO]- 364.06088 189.1
[M+CH3COO]- 378.07653 209.4
[M+Na-2H]- 340.03735 176.2
[M]+ 319.06213 171.9
[M]- 319.06323 171.9
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

No patent data available for this compound.