CID 4835892

Tetrahydro-7-(2-phenylethyl)-3h-thiazolo(3,4-a)pyrazine-5,8-dione

Structural Information

Molecular Formula
C14H16N2O2S
SMILES
C1C2C(=O)N(CC(=O)N2CS1)CCC3=CC=CC=C3
InChI
InChI=1S/C14H16N2O2S/c17-13-8-15(7-6-11-4-2-1-3-5-11)14(18)12-9-19-10-16(12)13/h1-5,12H,6-10H2
InChIKey
SPEYDJQGWWQVBV-UHFFFAOYSA-N
Compound name
7-(2-phenylethyl)-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.09326 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.10054 162.5
[M+Na]+ 299.08248 170.1
[M-H]- 275.08598 167.0
[M+NH4]+ 294.12708 179.4
[M+K]+ 315.05642 165.6
[M+H-H2O]+ 259.09052 155.0
[M+HCOO]- 321.09146 175.1
[M+CH3COO]- 335.10711 173.4
[M+Na-2H]- 297.06793 162.0
[M]+ 276.09271 161.8
[M]- 276.09381 161.8
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.