CID 471670

Ethyl 2-(3-acetyl-4-hydroxy-5,7-dimethyl-1,1-dioxo-pyrido[3,2-e]thiazin-2-yl)acetate

Structural Information

Molecular Formula
C15H18N2O6S
SMILES
CCOC(=O)CN1C(=C(C2=C(S1(=O)=O)N=C(C=C2C)C)O)C(=O)C
InChI
InChI=1S/C15H18N2O6S/c1-5-23-11(19)7-17-13(10(4)18)14(20)12-8(2)6-9(3)16-15(12)24(17,21)22/h6,20H,5,7H2,1-4H3
InChIKey
XOZBYMDWQWOVFW-UHFFFAOYSA-N
Compound name
ethyl 2-(3-acetyl-4-hydroxy-5,7-dimethyl-1,1-dioxopyrido[3,2-e]thiazin-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.08856 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.09584 173.0
[M+Na]+ 377.07778 183.2
[M-H]- 353.08128 174.3
[M+NH4]+ 372.12238 186.7
[M+K]+ 393.05172 180.2
[M+H-H2O]+ 337.08582 167.0
[M+HCOO]- 399.08676 184.3
[M+CH3COO]- 413.10241 211.6
[M+Na-2H]- 375.06323 173.7
[M]+ 354.08801 181.3
[M]- 354.08911 181.3
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

No patent data available for this compound.