CID 54708900

Dtxsid80225370

Structural Information

Molecular Formula
C15H10ClN3O4S3
SMILES
CN1C(=C(C2=C(S1(=O)=O)C3=CC=CC=C3S2)O)C(=O)NC4=NC=C(S4)Cl
InChI
InChI=1S/C15H10ClN3O4S3/c1-19-10(14(21)18-15-17-6-9(16)25-15)11(20)12-13(26(19,22)23)7-4-2-3-5-8(7)24-12/h2-6,20H,1H3,(H,17,18,21)
InChIKey
MTHUNCNWBOUBCE-UHFFFAOYSA-N
Compound name
N-(5-chloro-1,3-thiazol-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

426.9522 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.95948 187.6
[M+Na]+ 449.94142 201.5
[M-H]- 425.94492 193.3
[M+NH4]+ 444.98602 204.0
[M+K]+ 465.91536 194.0
[M+H-H2O]+ 409.94946 186.0
[M+HCOO]- 471.95040 190.1
[M+CH3COO]- 485.96605 198.0
[M+Na-2H]- 447.92687 190.4
[M]+ 426.95165 196.7
[M]- 426.95275 196.7
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