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
1
Annotation Hits

41
References

2245
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

literature stripe

Patent stripe

patents stripe