CID 3696897

Methyl 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

C₁₈H₂₀N₂O₃S

SMILES

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

InChI

InChI=1S/C18H20N2O3S/c1-4-12-5-7-13(8-6-12)16-15(17(22)23-3)11(2)19-18-20(16)14(21)9-10-24-18/h5-8,16H,4,9-10H2,1-3H3

InChIKey

WZOBGDYNCRAPBV-UHFFFAOYSA-N

Compound name

methyl 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: 344.11948 Da
Monoisotopic Mass: 2.7
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]+	345.126756	179.7
[M+Na]+	367.108698	187.4
[M-H]-	343.112204	184.3
[M+NH4]+	362.153303	192.1
[M+K]+	383.082638	182.6
[M+H-H2O]+	327.116740	170.9
[M+HCOO]-	389.117681	190.4
[M+CH3COO]-	403.133331	212.4
[M+Na-2H]-	365.094146	179.0
[M]+	344.11893142	182.1
[M]-	344.12002858	182.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.