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 162.9
[M+Na]+ 299.08248 174.4
[M+NH4]+ 294.12708 171.3
[M+K]+ 315.05642 167.1
[M-H]- 275.08598 165.6
[M+Na-2H]- 297.06793 167.1
[M]+ 276.09271 165.6
[M]- 276.09381 165.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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No patent data available for this compound.