CID 3054699

71605-70-4

Structural Information

Molecular Formula
C9H9N3S2
SMILES
C1CSC(N1)C2=CC3=NSN=C3C=C2
InChI
InChI=1S/C9H9N3S2/c1-2-7-8(12-14-11-7)5-6(1)9-10-3-4-13-9/h1-2,5,9-10H,3-4H2
InChIKey
NPNCNJNTFYNOIL-UHFFFAOYSA-N
Compound name
5-(1,3-thiazolidin-2-yl)-2,1,3-benzothiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.02379 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.03107 142.0
[M+Na]+ 246.01301 154.1
[M-H]- 222.01651 145.7
[M+NH4]+ 241.05761 161.9
[M+K]+ 261.98695 149.3
[M+H-H2O]+ 206.02105 136.8
[M+HCOO]- 268.02199 153.4
[M+CH3COO]- 282.03764 155.0
[M+Na-2H]- 243.99846 142.7
[M]+ 223.02324 143.1
[M]- 223.02434 143.1
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.