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]+ 277.100536 162.5
[M+Na]+ 299.082478 170.1
[M-H]- 275.085984 167.0
[M+NH4]+ 294.127083 179.4
[M+K]+ 315.056418 165.6
[M+H-H2O]+ 259.090520 155.0
[M+HCOO]- 321.091461 175.1
[M+CH3COO]- 335.107111 173.4
[M+Na-2H]- 297.067926 162.0
[M]+ 276.09271142 161.8
[M]- 276.09380858 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.