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 230.1
[M+Na]+ 561.04128 243.9
[M-H]- 537.04478 243.9
[M+NH4]+ 556.08588 238.8
[M+K]+ 577.01522 236.7
[M+H-H2O]+ 521.04932 222.2
[M+HCOO]- 583.05026 237.6
[M+CH3COO]- 597.06591 239.7
[M+Na-2H]- 559.02673 224.0
[M]+ 538.05151 243.7
[M]- 538.05261 243.7
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.