CID 16428009

612080-69-0

Structural Information

Molecular Formula
C24H22N2O6S
SMILES
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)C(=O)OC)C(=O)/C(=C\C4=CC=C(O4)C)/S2)C
InChI
InChI=1S/C24H22N2O6S/c1-5-31-23(29)19-14(3)25-24-26(20(19)15-7-9-16(10-8-15)22(28)30-4)21(27)18(33-24)12-17-11-6-13(2)32-17/h6-12,20H,5H2,1-4H3/b18-12+
InChIKey
QYLBAAJEUKXNRW-LDADJPATSA-N
Compound name
ethyl (2E)-5-(4-methoxycarbonylphenyl)-7-methyl-2-[(5-methylfuran-2-yl)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

466.11984 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.12712 210.7
[M+Na]+ 489.10906 224.7
[M+NH4]+ 484.15366 215.2
[M+K]+ 505.08300 220.8
[M-H]- 465.11256 214.9
[M+Na-2H]- 487.09451 215.0
[M]+ 466.11929 214.3
[M]- 466.12039 214.3
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.