CID 3067747

81960-07-8

Structural Information

Molecular Formula

C₁₂H₁₃N₃O₃S

SMILES

CCOC(=O)C1=C(N=C2C(=C1)C(=O)N=C(S2)NC)C

InChI

InChI=1S/C12H13N3O3S/c1-4-18-11(17)7-5-8-9(16)15-12(13-3)19-10(8)14-6(7)2/h5H,4H2,1-3H3,(H,13,15,16)

InChIKey

TVFIRMGXFYQDAJ-UHFFFAOYSA-N

Compound name

ethyl 7-methyl-2-(methylamino)-4-oxopyrido[3,2-e][1,3]thiazine-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 279.06775 Da
Monoisotopic Mass: 1.5
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]+	280.075026	159.3
[M+Na]+	302.056968	169.7
[M-H]-	278.060474	162.1
[M+NH4]+	297.101573	174.6
[M+K]+	318.030908	165.8
[M+H-H2O]+	262.065010	151.8
[M+HCOO]-	324.065951	175.8
[M+CH3COO]-	338.081601	201.4
[M+Na-2H]-	300.042416	163.1
[M]+	279.06720142	165.3
[M]-	279.06829858	165.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.