CID 4598597

Ethyl 6-(4-ethylphenyl)-8-methyl-4-oxo-3,4-dihydro-2h,6h-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

Structural Information

Molecular Formula

C₁₉H₂₂N₂O₃S

SMILES

CCC1=CC=C(C=C1)C2C(=C(N=C3N2C(=O)CCS3)C)C(=O)OCC

InChI

InChI=1S/C19H22N2O3S/c1-4-13-6-8-14(9-7-13)17-16(18(23)24-5-2)12(3)20-19-21(17)15(22)10-11-25-19/h6-9,17H,4-5,10-11H2,1-3H3

InChIKey

RELPQMZRWUWADF-UHFFFAOYSA-N

Compound name

ethyl 6-(4-ethylphenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 358.1351 Da
Monoisotopic Mass: 3.0
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]+	359.142376	184.1
[M+Na]+	381.124318	191.3
[M-H]-	357.127824	188.4
[M+NH4]+	376.168923	195.8
[M+K]+	397.098258	186.2
[M+H-H2O]+	341.132360	175.0
[M+HCOO]-	403.133301	194.4
[M+CH3COO]-	417.148951	215.3
[M+Na-2H]-	379.109766	182.9
[M]+	358.13455142	186.8
[M]-	358.13564858	186.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.