CID 9578484

N(sup 1)-2-thiazolylsulfanilamide 3-oxide

Structural Information

Molecular Formula
C9H9N3O3S2
SMILES
C1=CC(=CC=C1N)S(=O)(=O)/N=C\2/N(C=CS2)O
InChI
InChI=1S/C9H9N3O3S2/c10-7-1-3-8(4-2-7)17(14,15)11-9-12(13)5-6-16-9/h1-6,13H,10H2/b11-9-
InChIKey
DMRCXSXRPZTGSD-LUAWRHEFSA-N
Compound name
(NZ)-4-amino-N-(3-hydroxy-1,3-thiazol-2-ylidene)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.00854 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.01582 156.6
[M+Na]+ 293.99776 166.7
[M-H]- 270.00126 162.3
[M+NH4]+ 289.04236 173.3
[M+K]+ 309.97170 161.0
[M+H-H2O]+ 254.00580 150.1
[M+HCOO]- 316.00674 172.2
[M+CH3COO]- 330.02239 193.2
[M+Na-2H]- 291.98321 159.6
[M]+ 271.00799 158.2
[M]- 271.00909 158.2
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.