CID 216616

Brn 0532622

Structural Information

Molecular Formula
C6H6N4O2S
SMILES
C1C(=O)NC2=C(S1)N=C(NC2=O)N
InChI
InChI=1S/C6H6N4O2S/c7-6-9-4(12)3-5(10-6)13-1-2(11)8-3/h1H2,(H,8,11)(H3,7,9,10,12)
InChIKey
VBUNOJCOBXQBIK-UHFFFAOYSA-N
Compound name
2-amino-3,5-dihydropyrimido[4,5-b][1,4]thiazine-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.02115 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.02843 137.9
[M+Na]+ 221.01037 148.8
[M+NH4]+ 216.05497 144.4
[M+K]+ 236.98431 142.7
[M-H]- 197.01387 137.4
[M+Na-2H]- 218.99582 141.1
[M]+ 198.02060 139.3
[M]- 198.02170 139.3
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.