CID 138015570

2241138-44-1

Structural Information

Molecular Formula
C9H10N2O2S
SMILES
CN1C2=CC=CC=C2C(=CS1(=O)=O)N
InChI
InChI=1S/C9H10N2O2S/c1-11-9-5-3-2-4-7(9)8(10)6-14(11,12)13/h2-6H,10H2,1H3
InChIKey
ZQDPVPHXLXZWCQ-UHFFFAOYSA-N
Compound name
1-methyl-2,2-dioxo-2lambda6,1-benzothiazin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.0463 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.05358 139.0
[M+Na]+ 233.03552 150.2
[M-H]- 209.03902 142.6
[M+NH4]+ 228.08012 160.1
[M+K]+ 249.00946 146.3
[M+H-H2O]+ 193.04356 133.4
[M+HCOO]- 255.04450 156.6
[M+CH3COO]- 269.06015 185.3
[M+Na-2H]- 231.02097 145.4
[M]+ 210.04575 140.4
[M]- 210.04685 140.4
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.