CID 16410890

372970-66-6

Structural Information

Molecular Formula
C24H20Cl2N2O5S
SMILES
CC1=C(C(N2C(=O)/C(=C\C3=CC(=C(C=C3)Cl)Cl)/SC2=N1)C4=CC(=C(C=C4)OC)OC)C(=O)OC
InChI
InChI=1S/C24H20Cl2N2O5S/c1-12-20(23(30)33-4)21(14-6-8-17(31-2)18(11-14)32-3)28-22(29)19(34-24(28)27-12)10-13-5-7-15(25)16(26)9-13/h5-11,21H,1-4H3/b19-10+
InChIKey
AODHWPKOIOACSC-VXLYETTFSA-N
Compound name
methyl (2E)-2-[(3,4-dichlorophenyl)methylidene]-5-(3,4-dimethoxyphenyl)-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

518.047 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.05428 218.0
[M+Na]+ 541.03622 230.9
[M-H]- 517.03972 227.5
[M+NH4]+ 536.08082 227.3
[M+K]+ 557.01016 224.0
[M+H-H2O]+ 501.04426 210.1
[M+HCOO]- 563.04520 224.0
[M+CH3COO]- 577.06085 239.8
[M+Na-2H]- 539.02167 213.4
[M]+ 518.04645 231.9
[M]- 518.04755 231.9
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.