CID 54695517

2h-thieno(2,3-e)-1,2-thiazine-3-carboxamide, 4,6-dihydroxy-2-methyl-n-2-pyridinyl-, 1,1-dioxide

Structural Information

Molecular Formula
C13H11N3O5S2
SMILES
CN1C(=C(C2=C(S1(=O)=O)C=C(S2)O)O)C(=O)NC3=CC=CC=N3
InChI
InChI=1S/C13H11N3O5S2/c1-16-10(13(19)15-8-4-2-3-5-14-8)11(18)12-7(23(16,20)21)6-9(17)22-12/h2-6,17-18H,1H3,(H,14,15,19)
InChIKey
FEVQWVPIWHKZSP-UHFFFAOYSA-N
Compound name
4,6-dihydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.014 Da
Monoisotopic Mass

1.1
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.