CID 21178696

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

Structural Information

Molecular Formula
C25H20BrClN2O5S
SMILES
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3Cl)C(=O)/C(=C\C4=C(C=CC(=C4)Br)OC(=O)C)/S2)C
InChI
InChI=1S/C25H20BrClN2O5S/c1-4-33-24(32)21-13(2)28-25-29(22(21)17-7-5-6-8-18(17)27)23(31)20(35-25)12-15-11-16(26)9-10-19(15)34-14(3)30/h5-12,22H,4H2,1-3H3/b20-12+
InChIKey
LTDCRVHWGZPZSD-UDWIEESQSA-N
Compound name
ethyl (2E)-2-[(2-acetyloxy-5-bromophenyl)methylidene]-5-(2-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

573.99646 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 575.00374 213.7
[M+Na]+ 596.98568 219.8
[M+NH4]+ 592.03028 215.8
[M+K]+ 612.95962 218.2
[M-H]- 572.98918 215.9
[M+Na-2H]- 594.97113 216.4
[M]+ 573.99591 214.7
[M]- 573.99701 214.7
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.