CID 463844

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

Structural Information

Molecular Formula
C11H12N2O4S
SMILES
CC1=CC(=NC2=C1C(=C(NS2(=O)=O)C(=O)C)O)C
InChI
InChI=1S/C11H12N2O4S/c1-5-4-6(2)12-11-8(5)10(15)9(7(3)14)13-18(11,16)17/h4,13,15H,1-3H3
InChIKey
TVDMUDKERGRSEC-UHFFFAOYSA-N
Compound name
1-(4-hydroxy-5,7-dimethyl-1,1-dioxo-2H-pyrido[3,2-e]thiazin-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.0518 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.05908 153.2
[M+Na]+ 291.04102 164.6
[M-H]- 267.04452 153.5
[M+NH4]+ 286.08562 169.8
[M+K]+ 307.01496 160.1
[M+H-H2O]+ 251.04906 147.9
[M+HCOO]- 313.05000 164.8
[M+CH3COO]- 327.06565 192.0
[M+Na-2H]- 289.02647 156.2
[M]+ 268.05125 156.3
[M]- 268.05235 156.3
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.