CID 13405266

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

Structural Information

Molecular Formula
C12H12N2O2S
SMILES
C1C2C(=O)N(CC(=O)N2CS1)C3=CC=CC=C3
InChI
InChI=1S/C12H12N2O2S/c15-11-6-13(9-4-2-1-3-5-9)12(16)10-7-17-8-14(10)11/h1-5,10H,6-8H2
InChIKey
XJYFQUFHOMGZGL-UHFFFAOYSA-N
Compound name
7-phenyl-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

248.06195 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.069226 153.8
[M+Na]+ 271.051168 162.4
[M-H]- 247.054674 158.7
[M+NH4]+ 266.095773 171.9
[M+K]+ 287.025108 158.3
[M+H-H2O]+ 231.059210 146.7
[M+HCOO]- 293.060151 167.1
[M+CH3COO]- 307.075801 165.6
[M+Na-2H]- 269.036616 154.3
[M]+ 248.06140142 152.4
[M]- 248.06249858 152.4
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.