CID 16410927

324566-08-7

Structural Information

Molecular Formula
C24H21ClN2O4S
SMILES
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3Cl)C(=O)/C(=C\C4=CC=CC=C4OC)/S2)C
InChI
InChI=1S/C24H21ClN2O4S/c1-4-31-23(29)20-14(2)26-24-27(21(20)16-10-6-7-11-17(16)25)22(28)19(32-24)13-15-9-5-8-12-18(15)30-3/h5-13,21H,4H2,1-3H3/b19-13+
InChIKey
XTZAJQZWFKZDRZ-CPNJWEJPSA-N
Compound name
ethyl (2E)-5-(2-chlorophenyl)-2-[(2-methoxyphenyl)methylidene]-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

468.09106 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.09834 211.0
[M+Na]+ 491.08028 227.9
[M+NH4]+ 486.12488 217.7
[M+K]+ 507.05422 218.6
[M-H]- 467.08378 216.0
[M+Na-2H]- 489.06573 218.1
[M]+ 468.09051 215.7
[M]- 468.09161 215.7
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.