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
2
Annotation Hits

0
References

196
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 160.6
[M+Na]+ 317.02026 171.2
[M-H]- 293.02376 164.9
[M+NH4]+ 312.06486 178.0
[M+K]+ 332.99420 166.5
[M+H-H2O]+ 277.02830 154.8
[M+HCOO]- 339.02924 173.2
[M+CH3COO]- 353.04489 194.2
[M+Na-2H]- 315.00571 161.8
[M]+ 294.03049 160.9
[M]- 294.03159 160.9
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