CID 54708899

Dtxsid10225368

Structural Information

Molecular Formula
C19H13N3O4S3
SMILES
CN1C(=C(C2=C(S1(=O)=O)C3=CC=CC=C3S2)O)C(=O)NC4=NC5=CC=CC=C5S4
InChI
InChI=1S/C19H13N3O4S3/c1-22-14(18(24)21-19-20-11-7-3-5-9-13(11)28-19)15(23)16-17(29(22,25)26)10-6-2-4-8-12(10)27-16/h2-9,23H,1H3,(H,20,21,24)
InChIKey
AOTBWBXSLMTCLQ-UHFFFAOYSA-N
Compound name
N-(1,3-benzothiazol-2-yl)-4-hydroxy-2-methyl-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

443.0068 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.01408 194.2
[M+Na]+ 465.99602 208.4
[M-H]- 441.99952 200.5
[M+NH4]+ 461.04062 210.0
[M+K]+ 481.96996 200.9
[M+H-H2O]+ 426.00406 191.4
[M+HCOO]- 488.00500 201.2
[M+CH3COO]- 502.02065 204.4
[M+Na-2H]- 463.98147 199.8
[M]+ 443.00625 203.4
[M]- 443.00735 203.4
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