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]+ 249.06923 153.8
[M+Na]+ 271.05117 162.4
[M-H]- 247.05467 158.7
[M+NH4]+ 266.09577 171.9
[M+K]+ 287.02511 158.3
[M+H-H2O]+ 231.05921 146.7
[M+HCOO]- 293.06015 167.1
[M+CH3COO]- 307.07580 165.6
[M+Na-2H]- 269.03662 154.3
[M]+ 248.06140 152.4
[M]- 248.06250 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.