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

0
Patents

212.06195 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.06923 140.2
[M+Na]+ 235.05117 150.3
[M-H]- 211.05467 143.4
[M+NH4]+ 230.09577 161.1
[M+K]+ 251.02511 146.7
[M+H-H2O]+ 195.05921 134.7
[M+HCOO]- 257.06015 156.3
[M+CH3COO]- 271.07580 185.7
[M+Na-2H]- 233.03662 145.6
[M]+ 212.06140 140.3
[M]- 212.06250 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

No patent data available for this compound.