CID 3043858

Brn 0532615

Structural Information

Molecular Formula
C6H5N3O3S
SMILES
C1C(=O)NC2=C(S1)NC(=O)NC2=O
InChI
InChI=1S/C6H5N3O3S/c10-2-1-13-5-3(7-2)4(11)8-6(12)9-5/h1H2,(H,7,10)(H2,8,9,11,12)
InChIKey
VEUPLHOXUKHOKG-UHFFFAOYSA-N
Compound name
1,5-dihydropyrimido[4,5-b][1,4]thiazine-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.00516 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.01244 137.2
[M+Na]+ 221.99438 147.6
[M-H]- 197.99788 134.2
[M+NH4]+ 217.03898 152.1
[M+K]+ 237.96832 141.6
[M+H-H2O]+ 182.00242 131.2
[M+HCOO]- 244.00336 147.3
[M+CH3COO]- 258.01901 148.2
[M+Na-2H]- 219.97983 141.7
[M]+ 199.00461 133.8
[M]- 199.00571 133.8
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.