CID 3153545

2-methoxyethyl 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

C₂₀H₂₄N₂O₄S

SMILES

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

InChI

InChI=1S/C20H24N2O4S/c1-4-14-5-7-15(8-6-14)18-17(19(24)26-11-10-25-3)13(2)21-20-22(18)16(23)9-12-27-20/h5-8,18H,4,9-12H2,1-3H3

InChIKey

ULLBWXQOLLAKSY-UHFFFAOYSA-N

Compound name

2-methoxyethyl 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: 388.1457 Da
Monoisotopic Mass: 2.5
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]+	389.152976	191.4
[M+Na]+	411.134918	197.8
[M-H]-	387.138424	195.4
[M+NH4]+	406.179523	201.7
[M+K]+	427.108858	193.2
[M+H-H2O]+	371.142960	181.9
[M+HCOO]-	433.143901	201.5
[M+CH3COO]-	447.159551	220.4
[M+Na-2H]-	409.120366	189.9
[M]+	388.14515142	195.8
[M]-	388.14624858	195.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.