CID 204276

Brn 0017660

Structural Information

Molecular Formula
C7H8N4OS
SMILES
CC1=C2C(=NC(=N1)N)SCC(=O)N2
InChI
InChI=1S/C7H8N4OS/c1-3-5-6(11-7(8)9-3)13-2-4(12)10-5/h2H2,1H3,(H,10,12)(H2,8,9,11)
InChIKey
DYIGVIJIOMIMKV-UHFFFAOYSA-N
Compound name
2-amino-4-methyl-5H-pyrimido[4,5-b][1,4]thiazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.04189 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.04917 139.1
[M+Na]+ 219.03111 150.9
[M+NH4]+ 214.07571 146.8
[M+K]+ 235.00505 143.8
[M-H]- 195.03461 140.0
[M+Na-2H]- 217.01656 143.3
[M]+ 196.04134 141.2
[M]- 196.04244 141.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.