CID 208253

31846-46-5

Structural Information

Molecular Formula

C₁₁H₁₃NO₃S

SMILES

CC(C)N1C(=O)C2=CC=CC=C2CS1(=O)=O

InChI

InChI=1S/C11H13NO3S/c1-8(2)12-11(13)10-6-4-3-5-9(10)7-16(12,14)15/h3-6,8H,7H2,1-2H3

InChIKey

JIQOPFIEDZPLQT-UHFFFAOYSA-N

Compound name

2,2-dioxo-3-propan-2-yl-1H-2lambda6,3-benzothiazin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 239.06161 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	240.068886	146.5
[M+Na]+	262.050828	156.3
[M-H]-	238.054334	150.1
[M+NH4]+	257.095433	166.7
[M+K]+	278.024768	153.3
[M+H-H2O]+	222.058870	141.0
[M+HCOO]-	284.059811	161.0
[M+CH3COO]-	298.075461	189.6
[M+Na-2H]-	260.036276	150.6
[M]+	239.06106142	149.1
[M]-	239.06215858	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe