CID 128045

4-methoxy-7h-pyrimido[4,5-b][1,4]thiazin-6-amine

Structural Information

Molecular Formula
C7H8N4OS
SMILES
COC1=C2C(=NC=N1)SCC(=N2)N
InChI
InChI=1S/C7H8N4OS/c1-12-6-5-7(10-3-9-6)13-2-4(8)11-5/h3H,2H2,1H3,(H2,8,11)
InChIKey
BSYNHAHDUKAHAL-UHFFFAOYSA-N
Compound name
4-methoxy-7H-pyrimido[4,5-b][1,4]thiazin-6-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

1
Patents

196.04189 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.04917 137.3
[M+Na]+ 219.03111 147.5
[M-H]- 195.03461 137.8
[M+NH4]+ 214.07571 154.1
[M+K]+ 235.00505 143.9
[M+H-H2O]+ 179.03915 129.9
[M+HCOO]- 241.04009 152.6
[M+CH3COO]- 255.05574 149.7
[M+Na-2H]- 217.01656 143.9
[M]+ 196.04134 138.2
[M]- 196.04244 138.2
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.