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]+ 354.02128 171.7
[M+Na]+ 376.00322 182.1
[M-H]- 352.00672 174.7
[M+NH4]+ 371.04782 186.0
[M+K]+ 391.97716 176.4
[M+H-H2O]+ 336.01126 166.6
[M+HCOO]- 398.01220 180.9
[M+CH3COO]- 412.02785 181.9
[M+Na-2H]- 373.98867 174.3
[M]+ 353.01345 175.8
[M]- 353.01455 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.