CID 6270899

357433-42-2

Structural Information

Molecular Formula
C27H25ClN2O6S
SMILES
CCOC1=C(C=CC(=C1)/C=C/2\C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC)C4=CC=C(C=C4)Cl)OC(=O)C
InChI
InChI=1S/C27H25ClN2O6S/c1-5-34-21-13-17(7-12-20(21)36-16(4)31)14-22-25(32)30-24(18-8-10-19(28)11-9-18)23(26(33)35-6-2)15(3)29-27(30)37-22/h7-14,24H,5-6H2,1-4H3/b22-14+
InChIKey
HWIGAUFPTODHRT-HYARGMPZSA-N
Compound name
ethyl (2E)-2-[(4-acetyloxy-3-ethoxyphenyl)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

540.1122 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.11948 228.2
[M+Na]+ 563.10142 243.4
[M+NH4]+ 558.14602 232.8
[M+K]+ 579.07536 235.5
[M-H]- 539.10492 231.8
[M+Na-2H]- 561.08687 233.3
[M]+ 540.11165 232.1
[M]- 540.11275 232.1
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.