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]+ 196.05391 138.9
[M+Na]+ 218.03585 149.7
[M-H]- 194.03935 139.9
[M+NH4]+ 213.08045 156.5
[M+K]+ 234.00979 146.1
[M+H-H2O]+ 178.04389 131.8
[M+HCOO]- 240.04483 152.2
[M+CH3COO]- 254.06048 151.5
[M+Na-2H]- 216.02130 143.5
[M]+ 195.04608 140.2
[M]- 195.04718 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.