CID 16410877

300377-47-3

Structural Information

Molecular Formula
C23H18ClN3O5S
SMILES
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)Cl)C(=O)/C(=C\C4=CC=C(C=C4)[N+](=O)[O-])/S2)C
InChI
InChI=1S/C23H18ClN3O5S/c1-3-32-22(29)19-13(2)25-23-26(20(19)15-6-8-16(24)9-7-15)21(28)18(33-23)12-14-4-10-17(11-5-14)27(30)31/h4-12,20H,3H2,1-2H3/b18-12+
InChIKey
AZFWKBYJKONFBB-LDADJPATSA-N
Compound name
ethyl (2E)-5-(4-chlorophenyl)-7-methyl-2-[(4-nitrophenyl)methylidene]-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

483.06558 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.07286 209.1
[M+Na]+ 506.05480 225.7
[M+NH4]+ 501.09940 215.2
[M+K]+ 522.02874 219.9
[M-H]- 482.05830 215.0
[M+Na-2H]- 504.04025 216.0
[M]+ 483.06503 213.8
[M]- 483.06613 213.8
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.