CID 260532

2-(1,3-benzothiazol-2-ylsulfanyl)acetohydrazide

Structural Information

Molecular Formula
C9H9N3OS2
SMILES
C1=CC=C2C(=C1)N=C(S2)SCC(=O)NN
InChI
InChI=1S/C9H9N3OS2/c10-12-8(13)5-14-9-11-6-3-1-2-4-7(6)15-9/h1-4H,5,10H2,(H,12,13)
InChIKey
CERPICSYASCOGL-UHFFFAOYSA-N
Compound name
2-(1,3-benzothiazol-2-ylsulfanyl)acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

52
Patents

239.0187 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.02598 145.3
[M+Na]+ 262.00792 155.1
[M-H]- 238.01142 148.5
[M+NH4]+ 257.05252 164.7
[M+K]+ 277.98186 149.8
[M+H-H2O]+ 222.01596 139.3
[M+HCOO]- 284.01690 160.5
[M+CH3COO]- 298.03255 157.8
[M+Na-2H]- 259.99337 148.9
[M]+ 239.01815 148.2
[M]- 239.01925 148.2
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.