CID 382796

Nsc670521

Structural Information

Molecular Formula
C9H10N2O2S
SMILES
COC1=CC(=C2C(=C1)SCC(=O)N2)N
InChI
InChI=1S/C9H10N2O2S/c1-13-5-2-6(10)9-7(3-5)14-4-8(12)11-9/h2-3H,4,10H2,1H3,(H,11,12)
InChIKey
UHGYOHRTYAIGTA-UHFFFAOYSA-N
Compound name
5-amino-7-methoxy-4H-1,4-benzothiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.0463 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.05358 140.9
[M+Na]+ 233.03552 149.5
[M-H]- 209.03902 142.4
[M+NH4]+ 228.08012 159.1
[M+K]+ 249.00946 145.2
[M+H-H2O]+ 193.04356 135.0
[M+HCOO]- 255.04450 155.4
[M+CH3COO]- 269.06015 184.4
[M+Na-2H]- 231.02097 144.6
[M]+ 210.04575 139.4
[M]- 210.04685 139.4
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

No patent data available for this compound.