PubChemLite - 2-(3-benzoyl-4-hydroxy-5,7-dimethyl-1,1-dioxo-pyrido[3,2-e]thiazin-2-yl)-n-cyclohexyl-acetamide (C24H27N3O5S)

Structural Information

Molecular Formula

SMILES

CC1=CC(=NC2=C1C(=O)/C(=C(/C3=CC=CC=C3)\O)/N(S2(=O)=O)CC(=O)NC4CCCCC4)C

InChI

InChI=1S/C24H27N3O5S/c1-15-13-16(2)25-24-20(15)23(30)21(22(29)17-9-5-3-6-10-17)27(33(24,31)32)14-19(28)26-18-11-7-4-8-12-18/h3,5-6,9-10,13,18,29H,4,7-8,11-12,14H2,1-2H3,(H,26,28)/b22-21+

InChIKey

HTDJKUZWOYVWDX-QURGRASLSA-N

Compound name

N-cyclohexyl-2-[(3E)-3-[hydroxy(phenyl)methylidene]-5,7-dimethyl-1,1,4-trioxopyrido[3,2-e]thiazin-2-yl]acetamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	470.17442	208.3
[M+Na]+	492.15636	212.7
[M-H]-	468.15986	213.3
[M+NH4]+	487.20096	215.3
[M+K]+	508.13030	207.0
[M+H-H2O]+	452.16440	198.5
[M+HCOO]-	514.16534	214.6
[M+CH3COO]-	528.18099	234.1
[M+Na-2H]-	490.14181	206.7
[M]+	469.16659	205.9
[M]-	469.16769	205.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

470.17442

208.3

[M+Na]+

492.15636

212.7

[M-H]-

468.15986

213.3

[M+NH4]+

487.20096

215.3

[M+K]+

508.13030

207.0

[M+H-H2O]+

452.16440

198.5

[M+HCOO]-

514.16534

214.6

[M+CH3COO]-

528.18099

234.1

[M+Na-2H]-

490.14181

206.7

[M]+

469.16659

205.9

[M]-

469.16769

205.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

2-(3-benzoyl-4-hydroxy-5,7-dimethyl-1,1-dioxo-pyrido[3,2-e]thiazin-2-yl)-n-cyclohexyl-acetamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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