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]+ 240.025976 145.3
[M+Na]+ 262.007918 155.1
[M-H]- 238.011424 148.5
[M+NH4]+ 257.052523 164.7
[M+K]+ 277.981858 149.8
[M+H-H2O]+ 222.015960 139.3
[M+HCOO]- 284.016901 160.5
[M+CH3COO]- 298.032551 157.8
[M+Na-2H]- 259.993366 148.9
[M]+ 239.01815142 148.2
[M]- 239.01924858 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

literature stripe

Patent stripe

patents stripe