CID 54692969

93739-45-8

Structural Information

Molecular Formula
C13H11N3O5S2
SMILES
CN1C(=C(C2=C(S1(=O)=O)C=CS2)O)C(=O)NC3=NC=C(C=C3)O
InChI
InChI=1S/C13H11N3O5S2/c1-16-10(13(19)15-9-3-2-7(17)6-14-9)11(18)12-8(4-5-22-12)23(16,20)21/h2-6,17-18H,1H3,(H,14,15,19)
InChIKey
VJMIVXXTLGMNIX-UHFFFAOYSA-N
Compound name
4-hydroxy-N-(5-hydroxy-2-pyridinyl)-2-methyl-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

2
Patents

353.014 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.021276 171.7
[M+Na]+ 376.003218 182.1
[M-H]- 352.006724 174.7
[M+NH4]+ 371.047823 186.0
[M+K]+ 391.977158 176.4
[M+H-H2O]+ 336.011260 166.6
[M+HCOO]- 398.012201 180.9
[M+CH3COO]- 412.027851 181.9
[M+Na-2H]- 373.988666 174.3
[M]+ 353.01345142 175.8
[M]- 353.01454858 175.8
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

patents stripe