CID 10124

Thiazosulfone

Structural Information

Molecular Formula
C9H9N3O2S2
SMILES
C1=CC(=CC=C1N)S(=O)(=O)C2=CN=C(S2)N
InChI
InChI=1S/C9H9N3O2S2/c10-6-1-3-7(4-2-6)16(13,14)8-5-12-9(11)15-8/h1-5H,10H2,(H2,11,12)
InChIKey
KVEZIRCKNOTGKY-UHFFFAOYSA-N
Compound name
5-(4-aminophenyl)sulfonyl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

41
References

2188
Patents

255.01363 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.02091 152.8
[M+Na]+ 278.00285 162.8
[M-H]- 254.00635 157.9
[M+NH4]+ 273.04745 169.9
[M+K]+ 293.97679 156.9
[M+H-H2O]+ 238.01089 146.4
[M+HCOO]- 300.01183 167.4
[M+CH3COO]- 314.02748 191.9
[M+Na-2H]- 275.98830 154.6
[M]+ 255.01308 152.8
[M]- 255.01418 152.8
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.