CID 22174198

Diseptal b

Structural Information

Molecular Formula
C13H15N3O4S2
SMILES
CNS(=O)(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C13H15N3O4S2/c1-15-21(17,18)12-8-4-11(5-9-12)16-22(19,20)13-6-2-10(14)3-7-13/h2-9,15-16H,14H2,1H3
InChIKey
VJUSDOIKMJHJPN-UHFFFAOYSA-N
Compound name
4-amino-N-[4-(methylsulfamoyl)phenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

971
Patents

341.05038 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.05766 173.9
[M+Na]+ 364.03960 180.6
[M-H]- 340.04310 179.2
[M+NH4]+ 359.08420 185.9
[M+K]+ 380.01354 174.2
[M+H-H2O]+ 324.04764 165.8
[M+HCOO]- 386.04858 188.0
[M+CH3COO]- 400.06423 210.4
[M+Na-2H]- 362.02505 179.7
[M]+ 341.04983 174.4
[M]- 341.05093 174.4
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

patents stripe