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 177.2
[M+Na]+ 359.10360 185.0
[M-H]- 335.10710 181.9
[M+NH4]+ 354.14820 191.9
[M+K]+ 375.07754 181.2
[M+H-H2O]+ 319.11164 169.7
[M+HCOO]- 381.11258 189.4
[M+CH3COO]- 395.12823 208.5
[M+Na-2H]- 357.08905 175.0
[M]+ 336.11383 180.8
[M]- 336.11493 180.8
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.