CID 5342098

324071-75-2

Structural Information

Molecular Formula
C24H20Cl2N2O3S
SMILES
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)C)C(=O)/C(=C/C4=C(C=C(C=C4)Cl)Cl)/S2)C
InChI
InChI=1S/C24H20Cl2N2O3S/c1-4-31-23(30)20-14(3)27-24-28(21(20)15-7-5-13(2)6-8-15)22(29)19(32-24)11-16-9-10-17(25)12-18(16)26/h5-12,21H,4H2,1-3H3/b19-11-
InChIKey
OWOMUGNOLFTDBP-ODLFYWEKSA-N
Compound name
ethyl (2Z)-2-[(2,4-dichlorophenyl)methylidene]-7-methyl-5-(4-methylphenyl)-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

486.05716 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.06444 215.2
[M+Na]+ 509.04638 233.4
[M+NH4]+ 504.09098 222.5
[M+K]+ 525.02032 222.8
[M-H]- 485.04988 220.5
[M+Na-2H]- 507.03183 222.1
[M]+ 486.05661 220.6
[M]- 486.05771 220.6
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.