CID 686901

21762-78-7

Structural Information

Molecular Formula
C8H8N2OS
SMILES
C1C(=O)NC2=C(S1)C=CC(=C2)N
InChI
InChI=1S/C8H8N2OS/c9-5-1-2-7-6(3-5)10-8(11)4-12-7/h1-3H,4,9H2,(H,10,11)
InChIKey
OTAZYXUGSKFPHN-UHFFFAOYSA-N
Compound name
6-amino-4H-1,4-benzothiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

265
Patents

180.03574 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.04302 133.6
[M+Na]+ 203.02496 145.3
[M+NH4]+ 198.06956 142.8
[M+K]+ 218.99890 137.3
[M-H]- 179.02846 136.1
[M+Na-2H]- 201.01041 138.9
[M]+ 180.03519 136.2
[M]- 180.03629 136.2
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

patents stripe