CID 5759120

Ethyl (2e)-7-methyl-2-(4-methylbenzylidene)-5-(4-methylphenyl)-3-oxo-2,3-dihydro-5h-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Structural Information

Molecular Formula
C25H24N2O3S
SMILES
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)C)C(=O)/C(=C\C4=CC=C(C=C4)C)/S2)C
InChI
InChI=1S/C25H24N2O3S/c1-5-30-24(29)21-17(4)26-25-27(22(21)19-12-8-16(3)9-13-19)23(28)20(31-25)14-18-10-6-15(2)7-11-18/h6-14,22H,5H2,1-4H3/b20-14+
InChIKey
UNUIPZQYUXCGRB-XSFVSMFZSA-N
Compound name
ethyl (2E)-7-methyl-5-(4-methylphenyl)-2-[(4-methylphenyl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.15076 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.15804 205.8
[M+Na]+ 455.13998 222.2
[M+NH4]+ 450.18458 212.7
[M+K]+ 471.11392 213.1
[M-H]- 431.14348 211.2
[M+Na-2H]- 453.12543 213.0
[M]+ 432.15021 210.3
[M]- 432.15131 210.3
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.