CID 204277

4h-pyrimido(4,5-b)(1,4)thiazine-4,6(7h)-dione, 1,5-dihydro-

Structural Information

Molecular Formula
C6H5N3O2S
SMILES
C1C(=O)NC2=C(S1)N=CNC2=O
InChI
InChI=1S/C6H5N3O2S/c10-3-1-12-6-4(9-3)5(11)7-2-8-6/h2H,1H2,(H,9,10)(H,7,8,11)
InChIKey
QIIQKLPJDSPZIW-UHFFFAOYSA-N
Compound name
3,5-dihydropyrimido[4,5-b][1,4]thiazine-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

183.01025 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.01753 133.6
[M+Na]+ 205.99947 143.6
[M-H]- 182.00297 131.7
[M+NH4]+ 201.04407 149.8
[M+K]+ 221.97341 138.6
[M+H-H2O]+ 166.00751 127.2
[M+HCOO]- 228.00845 145.0
[M+CH3COO]- 242.02410 145.2
[M+Na-2H]- 203.98492 139.2
[M]+ 183.00970 130.9
[M]- 183.01080 130.9
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

patents stripe