CID 13405264

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

Structural Information

Molecular Formula
C15H18N2O4S
SMILES
COC1=C(C=C(C=C1)CN2CC(=O)N3CSCC3C2=O)OC
InChI
InChI=1S/C15H18N2O4S/c1-20-12-4-3-10(5-13(12)21-2)6-16-7-14(18)17-9-22-8-11(17)15(16)19/h3-5,11H,6-9H2,1-2H3
InChIKey
TVZZIQQIEJKVGB-UHFFFAOYSA-N
Compound name
7-[(3,4-dimethoxyphenyl)methyl]-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

322.09872 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.105996 172.9
[M+Na]+ 345.087938 181.1
[M-H]- 321.091444 177.8
[M+NH4]+ 340.132543 188.1
[M+K]+ 361.061878 177.6
[M+H-H2O]+ 305.095980 165.5
[M+HCOO]- 367.096921 185.4
[M+CH3COO]- 381.112571 205.6
[M+Na-2H]- 343.073386 171.2
[M]+ 322.09817142 176.1
[M]- 322.09926858 176.1
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.