CID 463845

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

Structural Information

Molecular Formula
C19H18N2O5S
SMILES
CC1=CC(=NC2=C1C(=C(N(S2(=O)=O)CC(=O)C3=CC=CC=C3)C(=O)C)O)C
InChI
InChI=1S/C19H18N2O5S/c1-11-9-12(2)20-19-16(11)18(24)17(13(3)22)21(27(19,25)26)10-15(23)14-7-5-4-6-8-14/h4-9,24H,10H2,1-3H3
InChIKey
MXVUGPLXEWAEPC-UHFFFAOYSA-N
Compound name
2-(3-acetyl-4-hydroxy-5,7-dimethyl-1,1-dioxopyrido[3,2-e]thiazin-2-yl)-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

386.09363 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.10091 185.0
[M+Na]+ 409.08285 194.9
[M-H]- 385.08635 189.3
[M+NH4]+ 404.12745 196.8
[M+K]+ 425.05679 190.1
[M+H-H2O]+ 369.09089 177.0
[M+HCOO]- 431.09183 196.2
[M+CH3COO]- 445.10748 218.0
[M+Na-2H]- 407.06830 185.8
[M]+ 386.09308 190.6
[M]- 386.09418 190.6
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.