CID 355358

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

Structural Information

Molecular Formula
C16H20N2O4S
SMILES
COC1=C(C=C(C=C1)CCN2CC(=O)N3CSCC3C2=O)OC
InChI
InChI=1S/C16H20N2O4S/c1-21-13-4-3-11(7-14(13)22-2)5-6-17-8-15(19)18-10-23-9-12(18)16(17)20/h3-4,7,12H,5-6,8-10H2,1-2H3
InChIKey
OKOCADMEUZRBJA-UHFFFAOYSA-N
Compound name
7-[2-(3,4-dimethoxyphenyl)ethyl]-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

336.11438 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.12166 178.5
[M+Na]+ 359.10360 189.2
[M+NH4]+ 354.14820 185.3
[M+K]+ 375.07754 183.0
[M-H]- 335.10710 180.2
[M+Na-2H]- 357.08905 180.9
[M]+ 336.11383 180.7
[M]- 336.11493 180.7
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.