CID 3067752

2h-pyrido(3,2-e)(1,3)thiazine-6-carboxylic acid, 3,4-dihydro-3,7-dimethyl-2,4-dioxo-, ethyl ester

Structural Information

Molecular Formula
C12H12N2O4S
SMILES
CCOC(=O)C1=C(N=C2C(=C1)C(=O)N(C(=O)S2)C)C
InChI
InChI=1S/C12H12N2O4S/c1-4-18-11(16)7-5-8-9(13-6(7)2)19-12(17)14(3)10(8)15/h5H,4H2,1-3H3
InChIKey
ODNNLMBUPVLXLH-UHFFFAOYSA-N
Compound name
ethyl 3,7-dimethyl-2,4-dioxopyrido[3,2-e][1,3]thiazine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.0518 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.059076 157.2
[M+Na]+ 303.041018 169.3
[M-H]- 279.044524 160.4
[M+NH4]+ 298.085623 172.9
[M+K]+ 319.014958 165.6
[M+H-H2O]+ 263.049060 150.2
[M+HCOO]- 325.050001 173.0
[M+CH3COO]- 339.065651 199.1
[M+Na-2H]- 301.026466 159.8
[M]+ 280.05125142 165.1
[M]- 280.05234858 165.1
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.