CID 5480595

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

Structural Information

Molecular Formula
C16H14N2O4S
SMILES
CC1=CC(=NC2=C1C(=O)/C(=C(/C3=CC=CC=C3)\O)/NS2(=O)=O)C
InChI
InChI=1S/C16H14N2O4S/c1-9-8-10(2)17-16-12(9)15(20)13(18-23(16,21)22)14(19)11-6-4-3-5-7-11/h3-8,18-19H,1-2H3/b14-13+
InChIKey
ODIQCZLQCBMPLT-BUHFOSPRSA-N
Compound name
(3E)-3-[hydroxy(phenyl)methylidene]-5,7-dimethyl-1,1-dioxopyrido[3,2-e]thiazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.0674 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.07468 172.1
[M+Na]+ 353.05662 182.1
[M-H]- 329.06012 174.9
[M+NH4]+ 348.10122 185.5
[M+K]+ 369.03056 175.7
[M+H-H2O]+ 313.06466 164.9
[M+HCOO]- 375.06560 182.4
[M+CH3COO]- 389.08125 202.1
[M+Na-2H]- 351.04207 174.2
[M]+ 330.06685 172.2
[M]- 330.06795 172.2
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.