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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.15298 192.7
[M+Na]+ 411.13492 201.1
[M-H]- 387.13842 197.9
[M+NH4]+ 406.17952 205.5
[M+K]+ 427.10886 196.7
[M+H-H2O]+ 371.14296 184.8
[M+HCOO]- 433.14390 205.2
[M+CH3COO]- 447.15955 221.0
[M+Na-2H]- 409.12037 188.7
[M]+ 388.14515 200.0
[M]- 388.14625 200.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.