CID 136576248

2167953-25-3

Structural Information

Molecular Formula
C9H12N2O2S
SMILES
CN1C2=CC=CC=C2C(CS1(=O)=O)N
InChI
InChI=1S/C9H12N2O2S/c1-11-9-5-3-2-4-7(9)8(10)6-14(11,12)13/h2-5,8H,6,10H2,1H3
InChIKey
NMUPIDIBAXWQRQ-UHFFFAOYSA-N
Compound name
1-methyl-2,2-dioxo-3,4-dihydro-2lambda6,1-benzothiazin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

212.06195 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.069226 140.2
[M+Na]+ 235.051168 150.3
[M-H]- 211.054674 143.4
[M+NH4]+ 230.095773 161.1
[M+K]+ 251.025108 146.7
[M+H-H2O]+ 195.059210 134.7
[M+HCOO]- 257.060151 156.3
[M+CH3COO]- 271.075801 185.7
[M+Na-2H]- 233.036616 145.6
[M]+ 212.06140142 140.3
[M]- 212.06249858 140.3
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