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]+ 197.049166 139.1
[M+Na]+ 219.031108 149.0
[M-H]- 195.034614 138.2
[M+NH4]+ 214.075713 155.3
[M+K]+ 235.005048 144.1
[M+H-H2O]+ 179.039150 132.3
[M+HCOO]- 241.040091 151.5
[M+CH3COO]- 255.055741 150.6
[M+Na-2H]- 217.016556 143.5
[M]+ 196.04134142 136.5
[M]- 196.04243858 136.5
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.