CID 54697640

Dtxsid50225367

Structural Information

Molecular Formula
C16H13N3O4S3
SMILES
CC1=CSC(=N1)NC(=O)C2=C(C3=C(C4=CC=CC=C4S3)S(=O)(=O)N2C)O
InChI
InChI=1S/C16H13N3O4S3/c1-8-7-24-16(17-8)18-15(21)11-12(20)13-14(26(22,23)19(11)2)9-5-3-4-6-10(9)25-13/h3-7,20H,1-2H3,(H,17,18,21)
InChIKey
QJMHVDFPNLIDNQ-UHFFFAOYSA-N
Compound name
4-hydroxy-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-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

407.0068 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.01408 186.2
[M+Na]+ 429.99602 197.0
[M+NH4]+ 425.04062 194.5
[M+K]+ 445.96996 188.2
[M-H]- 405.99952 188.5
[M+Na-2H]- 427.98147 190.9
[M]+ 407.00625 189.8
[M]- 407.00735 189.8
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