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]+ 323.10600 172.9
[M+Na]+ 345.08794 181.1
[M-H]- 321.09144 177.8
[M+NH4]+ 340.13254 188.1
[M+K]+ 361.06188 177.6
[M+H-H2O]+ 305.09598 165.5
[M+HCOO]- 367.09692 185.4
[M+CH3COO]- 381.11257 205.6
[M+Na-2H]- 343.07339 171.2
[M]+ 322.09817 176.1
[M]- 322.09927 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.