CID 3040990

Brn 0980369

Structural Information

Molecular Formula
C7H7N3OS
SMILES
CN1C(=O)CSC2=NC=CN=C21
InChI
InChI=1S/C7H7N3OS/c1-10-5(11)4-12-7-6(10)8-2-3-9-7/h2-3H,4H2,1H3
InChIKey
HDKKYWRJDNVQFD-UHFFFAOYSA-N
Compound name
4-methylpyrazino[2,3-b][1,4]thiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.03099 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.03827 134.3
[M+Na]+ 204.02021 144.6
[M-H]- 180.02371 135.1
[M+NH4]+ 199.06481 152.2
[M+K]+ 219.99415 141.3
[M+H-H2O]+ 164.02825 127.1
[M+HCOO]- 226.02919 148.0
[M+CH3COO]- 240.04484 147.0
[M+Na-2H]- 202.00566 140.1
[M]+ 181.03044 134.8
[M]- 181.03154 134.8
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.