CID 382396

Nsc669954

Structural Information

Molecular Formula
C10H12N2O2S
SMILES
CC1C(=O)NC2=C(C=C(C=C2S1)OC)N
InChI
InChI=1S/C10H12N2O2S/c1-5-10(13)12-9-7(11)3-6(14-2)4-8(9)15-5/h3-5H,11H2,1-2H3,(H,12,13)
InChIKey
HWSDADFNLPIOHD-UHFFFAOYSA-N
Compound name
5-amino-7-methoxy-2-methyl-4H-1,4-benzothiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.06195 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.06923 145.6
[M+Na]+ 247.05117 154.6
[M-H]- 223.05467 147.3
[M+NH4]+ 242.09577 163.5
[M+K]+ 263.02511 150.1
[M+H-H2O]+ 207.05921 139.7
[M+HCOO]- 269.06015 159.7
[M+CH3COO]- 283.07580 188.6
[M+Na-2H]- 245.03662 148.1
[M]+ 224.06140 144.9
[M]- 224.06250 144.9
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.