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]+ 240.06889 150.5
[M+Na]+ 262.05083 163.3
[M+NH4]+ 257.09543 160.0
[M+K]+ 278.02477 153.0
[M-H]- 238.05433 151.8
[M+Na-2H]- 260.03628 156.6
[M]+ 239.06106 153.3
[M]- 239.06216 153.3
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.