CID 54695518

123253-07-6

Structural Information

Molecular Formula
C14H13N3O5S2
SMILES
CN1C(=C(C2=C(S1(=O)=O)C=C(S2)OC)O)C(=O)NC3=CC=CC=N3
InChI
InChI=1S/C14H13N3O5S2/c1-17-11(14(19)16-9-5-3-4-6-15-9)12(18)13-8(24(17,20)21)7-10(22-2)23-13/h3-7,18H,1-2H3,(H,15,16,19)
InChIKey
CQBCGDPZIVQZNQ-UHFFFAOYSA-N
Compound name
4-hydroxy-6-methoxy-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

367.02966 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.03694 178.4
[M+Na]+ 390.01888 188.8
[M+NH4]+ 385.06348 185.4
[M+K]+ 405.99282 181.0
[M-H]- 366.02238 179.6
[M+Na-2H]- 388.00433 183.6
[M]+ 367.02911 181.0
[M]- 367.03021 181.0
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.