CID 511625

5-hydroxy-6-(4-methoxyphenyl)sulfanyl-2-methyl-1,3-benzothiazole-4,7-dione

Structural Information

Molecular Formula
C15H11NO4S2
SMILES
CC1=NC2=C(S1)C(=O)C(=C(C2=O)O)SC3=CC=C(C=C3)OC
InChI
InChI=1S/C15H11NO4S2/c1-7-16-10-11(17)12(18)15(13(19)14(10)21-7)22-9-5-3-8(20-2)4-6-9/h3-6,18H,1-2H3
InChIKey
JSRHCRBBEVZHBB-UHFFFAOYSA-N
Compound name
5-hydroxy-6-(4-methoxyphenyl)sulfanyl-2-methyl-1,3-benzothiazole-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

333.01294 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.02022 171.1
[M+Na]+ 356.00216 182.7
[M-H]- 332.00566 177.2
[M+NH4]+ 351.04676 187.3
[M+K]+ 371.97610 176.7
[M+H-H2O]+ 316.01020 165.7
[M+HCOO]- 378.01114 182.3
[M+CH3COO]- 392.02679 205.0
[M+Na-2H]- 353.98761 170.2
[M]+ 333.01239 177.8
[M]- 333.01349 177.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.