CID 3566507

617694-06-1

Structural Information

Molecular Formula
C19H20N2O3S
SMILES
CCC1C(=O)N2C(C(=C(N=C2S1)C)C(=O)OCC=C)C3=CC=CC=C3
InChI
InChI=1S/C19H20N2O3S/c1-4-11-24-18(23)15-12(3)20-19-21(17(22)14(5-2)25-19)16(15)13-9-7-6-8-10-13/h4,6-10,14,16H,1,5,11H2,2-3H3
InChIKey
GUYZIOBAIWZKLR-UHFFFAOYSA-N
Compound name
prop-2-enyl 2-ethyl-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.11948 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.126756 184.7
[M+Na]+ 379.108698 193.4
[M-H]- 355.112204 189.9
[M+NH4]+ 374.153303 198.7
[M+K]+ 395.082638 187.9
[M+H-H2O]+ 339.116740 176.9
[M+HCOO]- 401.117681 197.6
[M+CH3COO]- 415.133331 213.9
[M+Na-2H]- 377.094146 181.5
[M]+ 356.11893142 189.2
[M]- 356.12002858 189.2
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.