CID 159791

16477-31-9

Structural Information

Molecular Formula
C12H10N2O5S
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=CC=CC=C3S2(=O)=O
InChI
InChI=1S/C12H10N2O5S/c15-10-6-5-8(11(16)13-10)14-12(17)7-3-1-2-4-9(7)20(14,18)19/h1-4,8H,5-6H2,(H,13,15,16)
InChIKey
NGQWLJWMSAFWFI-UHFFFAOYSA-N
Compound name
3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

192
Patents

294.03104 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.03832 163.9
[M+Na]+ 317.02026 174.6
[M+NH4]+ 312.06486 171.0
[M+K]+ 332.99420 168.1
[M-H]- 293.02376 163.9
[M+Na-2H]- 315.00571 167.7
[M]+ 294.03049 165.6
[M]- 294.03159 165.6
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

patents stripe