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]+ 200.012436 137.2
[M+Na]+ 221.994378 147.6
[M-H]- 197.997884 134.2
[M+NH4]+ 217.038983 152.1
[M+K]+ 237.968318 141.6
[M+H-H2O]+ 182.002420 131.2
[M+HCOO]- 244.003361 147.3
[M+CH3COO]- 258.019011 148.2
[M+Na-2H]- 219.979826 141.7
[M]+ 199.00461142 133.8
[M]- 199.00570858 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.