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]+ 211.053576 139.0
[M+Na]+ 233.035518 150.2
[M-H]- 209.039024 142.6
[M+NH4]+ 228.080123 160.1
[M+K]+ 249.009458 146.3
[M+H-H2O]+ 193.043560 133.4
[M+HCOO]- 255.044501 156.6
[M+CH3COO]- 269.060151 185.3
[M+Na-2H]- 231.020966 145.4
[M]+ 210.04575142 140.4
[M]- 210.04684858 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.