CID 16448135

Ethyl (2e)-2-(2-chloro-6-fluorobenzylidene)-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5h-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Structural Information

Molecular Formula
C23H17Cl2FN2O3S
SMILES
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)Cl)C(=O)/C(=C\C4=C(C=CC=C4Cl)F)/S2)C
InChI
InChI=1S/C23H17Cl2FN2O3S/c1-3-31-22(30)19-12(2)27-23-28(20(19)13-7-9-14(24)10-8-13)21(29)18(32-23)11-15-16(25)5-4-6-17(15)26/h4-11,20H,3H2,1-2H3/b18-11+
InChIKey
PVASRHSLXRHXLP-WOJGMQOQSA-N
Compound name
ethyl (2E)-2-[(2-chloro-6-fluorophenyl)methylidene]-5-(4-chlorophenyl)-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

490.0321 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.03938 213.0
[M+Na]+ 513.02132 230.0
[M+NH4]+ 508.06592 219.5
[M+K]+ 528.99526 220.0
[M-H]- 489.02482 216.7
[M+Na-2H]- 511.00677 219.3
[M]+ 490.03155 217.6
[M]- 490.03265 217.6
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.

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No patent data available for this compound.