CID 16410929

324566-50-9

Structural Information

Molecular Formula
C27H20Cl2N2O4S
SMILES
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(=O)/C(=C\C4=CC=C(O4)C5=C(C=CC(=C5)Cl)Cl)/S2)C
InChI
InChI=1S/C27H20Cl2N2O4S/c1-3-34-26(33)23-15(2)30-27-31(24(23)16-7-5-4-6-8-16)25(32)22(36-27)14-18-10-12-21(35-18)19-13-17(28)9-11-20(19)29/h4-14,24H,3H2,1-2H3/b22-14+
InChIKey
RMCTZMKLKAGLAF-HYARGMPZSA-N
Compound name
ethyl (2E)-2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

538.05206 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.05934 227.2
[M+Na]+ 561.04128 246.3
[M+NH4]+ 556.08588 234.2
[M+K]+ 577.01522 237.6
[M-H]- 537.04478 235.4
[M+Na-2H]- 559.02673 235.1
[M]+ 538.05151 233.6
[M]- 538.05261 233.6
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.