CID 216614

Brn 0524121

Structural Information

Molecular Formula
C7H8N4S2
SMILES
CSC1=NC=NC2=C1N=C(CS2)N
InChI
InChI=1S/C7H8N4S2/c1-12-6-5-7(10-3-9-6)13-2-4(8)11-5/h3H,2H2,1H3,(H2,8,11)
InChIKey
BCJHZESFOQHMOQ-UHFFFAOYSA-N
Compound name
4-methylsulfanyl-7H-pyrimido[4,5-b][1,4]thiazin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.01904 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.02632 138.5
[M+Na]+ 235.00826 151.2
[M+NH4]+ 230.05286 147.7
[M+K]+ 250.98220 141.2
[M-H]- 211.01176 141.0
[M+Na-2H]- 232.99371 144.1
[M]+ 212.01849 141.9
[M]- 212.01959 141.9
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.