CID 128045

37497-00-0

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

4
Patents

196.04189 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.049166 137.3
[M+Na]+ 219.031108 147.5
[M-H]- 195.034614 137.8
[M+NH4]+ 214.075713 154.1
[M+K]+ 235.005048 143.9
[M+H-H2O]+ 179.039150 129.9
[M+HCOO]- 241.040091 152.6
[M+CH3COO]- 255.055741 149.7
[M+Na-2H]- 217.016556 143.9
[M]+ 196.04134142 138.2
[M]- 196.04243858 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.