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]+ 182.038266 134.3
[M+Na]+ 204.020208 144.6
[M-H]- 180.023714 135.1
[M+NH4]+ 199.064813 152.2
[M+K]+ 219.994148 141.3
[M+H-H2O]+ 164.028250 127.1
[M+HCOO]- 226.029191 148.0
[M+CH3COO]- 240.044841 147.0
[M+Na-2H]- 202.005656 140.1
[M]+ 181.03044142 134.8
[M]- 181.03153858 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.