CID 3040992

Brn 0982908

Structural Information

Molecular Formula
C8H9N3OS
SMILES
CCN1C(=O)CSC2=NC=CN=C21
InChI
InChI=1S/C8H9N3OS/c1-2-11-6(12)5-13-8-7(11)9-3-4-10-8/h3-4H,2,5H2,1H3
InChIKey
MLHKPHLTABXPNF-UHFFFAOYSA-N
Compound name
4-ethylpyrazino[2,3-b][1,4]thiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.04663 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.053906 138.7
[M+Na]+ 218.035848 148.5
[M-H]- 194.039354 139.2
[M+NH4]+ 213.080453 156.0
[M+K]+ 234.009788 145.0
[M+H-H2O]+ 178.043890 131.3
[M+HCOO]- 240.044831 152.0
[M+CH3COO]- 254.060481 150.9
[M+Na-2H]- 216.021296 144.0
[M]+ 195.04608142 139.5
[M]- 195.04717858 139.5
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.