CID 506481

1-(ethoxymethyl)-5h-pyrimido[4,5-b][1,4]benzothiazine-2,4-dione

Structural Information

Molecular Formula

C₁₃H₁₃N₃O₃S

SMILES

CCOCN1C2=C(C(=O)NC1=O)NC3=CC=CC=C3S2

InChI

InChI=1S/C13H13N3O3S/c1-2-19-7-16-12-10(11(17)15-13(16)18)14-8-5-3-4-6-9(8)20-12/h3-6,14H,2,7H2,1H3,(H,15,17,18)

InChIKey

FWDVCPSTXTVRAL-UHFFFAOYSA-N

Compound name

1-(ethoxymethyl)-5H-pyrimido[4,5-b][1,4]benzothiazine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 291.06775 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

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]+	292.075026	161.7
[M+Na]+	314.056968	172.3
[M-H]-	290.060474	160.8
[M+NH4]+	309.101573	174.8
[M+K]+	330.030908	165.6
[M+H-H2O]+	274.065010	154.2
[M+HCOO]-	336.065951	172.1
[M+CH3COO]-	350.081601	171.8
[M+Na-2H]-	312.042416	167.1
[M]+	291.06720142	163.9
[M]-	291.06829858	163.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.