CID 266500

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

Structural Information

Molecular Formula
C8H6N2OS
SMILES
C1=CC=C2C(=C1)C(=O)N=C(S2)N
InChI
InChI=1S/C8H6N2OS/c9-8-10-7(11)5-3-1-2-4-6(5)12-8/h1-4H,(H2,9,10,11)
InChIKey
YIFFDQCDFYGWIB-UHFFFAOYSA-N
Compound name
2-amino-1,3-benzothiazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

230
Patents

178.02008 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.02736 130.7
[M+Na]+ 201.00930 141.6
[M-H]- 177.01280 134.4
[M+NH4]+ 196.05390 151.0
[M+K]+ 216.98324 137.4
[M+H-H2O]+ 161.01734 124.6
[M+HCOO]- 223.01828 149.8
[M+CH3COO]- 237.03393 144.8
[M+Na-2H]- 198.99475 137.8
[M]+ 178.01953 131.7
[M]- 178.02063 131.7
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