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

233
Patents

178.02008 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.027356 130.7
[M+Na]+ 201.009298 141.6
[M-H]- 177.012804 134.4
[M+NH4]+ 196.053903 151.0
[M+K]+ 216.983238 137.4
[M+H-H2O]+ 161.017340 124.6
[M+HCOO]- 223.018281 149.8
[M+CH3COO]- 237.033931 144.8
[M+Na-2H]- 198.994746 137.8
[M]+ 178.01953142 131.7
[M]- 178.02062858 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