CID 3744624

Methyl 2-ethyl-7-methyl-3-oxo-5-(4-propoxyphenyl)-2,3-dihydro-5h-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Structural Information

Molecular Formula

C₂₀H₂₄N₂O₄S

SMILES

CCCOC1=CC=C(C=C1)C2C(=C(N=C3N2C(=O)C(S3)CC)C)C(=O)OC

InChI

InChI=1S/C20H24N2O4S/c1-5-11-26-14-9-7-13(8-10-14)17-16(19(24)25-4)12(3)21-20-22(17)18(23)15(6-2)27-20/h7-10,15,17H,5-6,11H2,1-4H3

InChIKey

GXPADIKUNAAHMW-UHFFFAOYSA-N

Compound name

methyl 2-ethyl-7-methyl-3-oxo-5-(4-propoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 388.1457 Da
Monoisotopic Mass: 3.8
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	192.7
[M+Na]+	411.134918	201.1
[M-H]-	387.138424	197.9
[M+NH4]+	406.179523	205.5
[M+K]+	427.108858	196.7
[M+H-H2O]+	371.142960	184.8
[M+HCOO]-	433.143901	205.2
[M+CH3COO]-	447.159551	221.0
[M+Na-2H]-	409.120366	188.7
[M]+	388.14515142	200.0
[M]-	388.14624858	200.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.