CID 260532

24044-91-5

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: 36
Patents: 239.0187 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	240.02598	146.0
[M+Na]+	262.00792	155.9
[M+NH4]+	257.05252	154.7
[M+K]+	277.98186	148.3
[M-H]-	238.01142	148.6
[M+Na-2H]-	259.99337	151.0
[M]+	239.01815	148.8
[M]-	239.01925	148.8

Literature stripe

literature stripe

Patent stripe

patents stripe