CID 59852

104388-89-8

Structural Information

Molecular Formula
C10H9N3O5S2
SMILES
COC(=O)C(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N
InChI
InChI=1S/C10H9N3O5S2/c1-18-9(15)8(14)13-10-12-6-3-2-5(20(11,16)17)4-7(6)19-10/h2-4H,1H3,(H2,11,16,17)(H,12,13,14)
InChIKey
UITKVBJTTGJECN-UHFFFAOYSA-N
Compound name
methyl 2-oxo-2-[(6-sulfamoyl-1,3-benzothiazol-2-yl)amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.99835 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.00563 166.4
[M+Na]+ 337.98757 175.5
[M-H]- 313.99107 169.6
[M+NH4]+ 333.03217 182.1
[M+K]+ 353.96151 171.7
[M+H-H2O]+ 297.99561 160.6
[M+HCOO]- 359.99655 179.8
[M+CH3COO]- 374.01220 201.6
[M+Na-2H]- 335.97302 169.9
[M]+ 314.99780 171.9
[M]- 314.99890 171.9
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

No patent data available for this compound.