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]+ 225.069226 145.6
[M+Na]+ 247.051168 154.6
[M-H]- 223.054674 147.3
[M+NH4]+ 242.095773 163.5
[M+K]+ 263.025108 150.1
[M+H-H2O]+ 207.059210 139.7
[M+HCOO]- 269.060151 159.7
[M+CH3COO]- 283.075801 188.6
[M+Na-2H]- 245.036616 148.1
[M]+ 224.06140142 144.9
[M]- 224.06249858 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.