CID 5759072

313966-49-3

Structural Information

Molecular Formula
C23H20N2O6S
SMILES
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC(=O)C)C(=O)/C(=C\C4=CC=CO4)/S2)C
InChI
InChI=1S/C23H20N2O6S/c1-4-29-22(28)19-13(2)24-23-25(21(27)18(32-23)12-17-6-5-11-30-17)20(19)15-7-9-16(10-8-15)31-14(3)26/h5-12,20H,4H2,1-3H3/b18-12+
InChIKey
HADNMBSQWBYIQB-LDADJPATSA-N
Compound name
ethyl (2E)-5-(4-acetyloxyphenyl)-2-(furan-2-ylmethylidene)-7-methyl-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

452.10422 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.11150 205.7
[M+Na]+ 475.09344 219.6
[M+NH4]+ 470.13804 210.4
[M+K]+ 491.06738 215.7
[M-H]- 451.09694 209.9
[M+Na-2H]- 473.07889 210.5
[M]+ 452.10367 209.2
[M]- 452.10477 209.2
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.