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]+ 357.12676 184.7
[M+Na]+ 379.10870 193.4
[M-H]- 355.11220 189.9
[M+NH4]+ 374.15330 198.7
[M+K]+ 395.08264 187.9
[M+H-H2O]+ 339.11674 176.9
[M+HCOO]- 401.11768 197.6
[M+CH3COO]- 415.13333 213.9
[M+Na-2H]- 377.09415 181.5
[M]+ 356.11893 189.2
[M]- 356.12003 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.