CID 2768116

123044-04-2

Structural Information

Molecular Formula
C17H18N2O3S
SMILES
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(=O)C(S2)C)C
InChI
InChI=1S/C17H18N2O3S/c1-4-22-16(21)13-10(2)18-17-19(15(20)11(3)23-17)14(13)12-8-6-5-7-9-12/h5-9,11,14H,4H2,1-3H3
InChIKey
VIZUXHWYDJXQLK-UHFFFAOYSA-N
Compound name
ethyl 2,7-dimethyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

330.10382 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.11110 177.3
[M+Na]+ 353.09304 189.9
[M+NH4]+ 348.13764 184.6
[M+K]+ 369.06698 183.3
[M-H]- 329.09654 179.8
[M+Na-2H]- 351.07849 181.4
[M]+ 330.10327 180.2
[M]- 330.10437 180.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.