CID 3040991

Brn 0985046

Structural Information

Molecular Formula
C8H9N3OS
SMILES
CC1C(=O)N(C2=NC=CN=C2S1)C
InChI
InChI=1S/C8H9N3OS/c1-5-8(12)11(2)6-7(13-5)10-4-3-9-6/h3-5H,1-2H3
InChIKey
XQIUIMHKJXDDSQ-UHFFFAOYSA-N
Compound name
2,4-dimethylpyrazino[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 138.9
[M+Na]+ 218.035848 149.7
[M-H]- 194.039354 139.9
[M+NH4]+ 213.080453 156.5
[M+K]+ 234.009788 146.1
[M+H-H2O]+ 178.043890 131.8
[M+HCOO]- 240.044831 152.2
[M+CH3COO]- 254.060481 151.5
[M+Na-2H]- 216.021296 143.5
[M]+ 195.04608142 140.2
[M]- 195.04717858 140.2
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.