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]+ 211.053576 140.9
[M+Na]+ 233.035518 149.5
[M-H]- 209.039024 142.4
[M+NH4]+ 228.080123 159.1
[M+K]+ 249.009458 145.2
[M+H-H2O]+ 193.043560 135.0
[M+HCOO]- 255.044501 155.4
[M+CH3COO]- 269.060151 184.4
[M+Na-2H]- 231.020966 144.6
[M]+ 210.04575142 139.4
[M]- 210.04684858 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.