CID 463847

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

Structural Information

Molecular Formula
C12H14N2O4S
SMILES
CC1=CC(=NC2=C1C(=C(N(S2(=O)=O)C)C(=O)C)O)C
InChI
InChI=1S/C12H14N2O4S/c1-6-5-7(2)13-12-9(6)11(16)10(8(3)15)14(4)19(12,17)18/h5,16H,1-4H3
InChIKey
JAXHVOVXHOYXQB-UHFFFAOYSA-N
Compound name
1-(4-hydroxy-2,5,7-trimethyl-1,1-dioxopyrido[3,2-e]thiazin-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.0674 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.07468 155.9
[M+Na]+ 305.05662 168.1
[M-H]- 281.06012 157.8
[M+NH4]+ 300.10122 172.9
[M+K]+ 321.03056 164.3
[M+H-H2O]+ 265.06466 150.4
[M+HCOO]- 327.06560 168.7
[M+CH3COO]- 341.08125 198.6
[M+Na-2H]- 303.04207 158.3
[M]+ 282.06685 161.6
[M]- 282.06795 161.6
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.