CID 208261

31848-35-8

Structural Information

Molecular Formula
C11H13NO3S
SMILES
CCCN1C(=O)C2=CC=CC=C2CS1(=O)=O
InChI
InChI=1S/C11H13NO3S/c1-2-7-12-11(13)10-6-4-3-5-9(10)8-16(12,14)15/h3-6H,2,7-8H2,1H3
InChIKey
CYJSGRCJQDNYER-UHFFFAOYSA-N
Compound name
2,2-dioxo-3-propyl-1H-2lambda6,3-benzothiazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.06161 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.068886 146.8
[M+Na]+ 262.050828 157.0
[M-H]- 238.054334 150.3
[M+NH4]+ 257.095433 167.0
[M+K]+ 278.024768 153.4
[M+H-H2O]+ 222.058870 141.0
[M+HCOO]- 284.059811 162.4
[M+CH3COO]- 298.075461 188.7
[M+Na-2H]- 260.036276 151.8
[M]+ 239.06106142 150.0
[M]- 239.06215858 150.0
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.