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 211.8
[M+Na]+ 489.10906 223.3
[M-H]- 465.11256 223.3
[M+NH4]+ 484.15366 221.9
[M+K]+ 505.08300 219.8
[M+H-H2O]+ 449.11710 204.6
[M+HCOO]- 511.11804 228.4
[M+CH3COO]- 525.13369 232.0
[M+Na-2H]- 487.09451 207.1
[M]+ 466.11929 224.6
[M]- 466.12039 224.6
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.