CID 686901

6-amino-3,4-dihydro-2h-1,4-benzothiazin-3-one

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

271
Patents

180.03574 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.043016 133.0
[M+Na]+ 203.024958 141.4
[M-H]- 179.028464 134.4
[M+NH4]+ 198.069563 152.2
[M+K]+ 218.998898 136.8
[M+H-H2O]+ 163.033000 127.3
[M+HCOO]- 225.033941 147.7
[M+CH3COO]- 239.049591 145.3
[M+Na-2H]- 201.010406 137.8
[M]+ 180.03519142 129.4
[M]- 180.03628858 129.4
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