CID 12627419

21762-79-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
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 133.0
[M+Na]+ 203.02496 141.4
[M-H]- 179.02846 134.4
[M+NH4]+ 198.06956 152.2
[M+K]+ 218.99890 136.8
[M+H-H2O]+ 163.03300 127.3
[M+HCOO]- 225.03394 147.7
[M+CH3COO]- 239.04959 145.3
[M+Na-2H]- 201.01041 137.8
[M]+ 180.03519 129.4
[M]- 180.03629 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