CID 3057452

2h-pyrimido(4,5-e)-1,2,4-thiadiazine-6,8(5h,7h)-dione, 5,7-dimethyl-, 1,1-dioxide

Structural Information

Molecular Formula
C7H8N4O4S
SMILES
CN1C2=C(C(=O)N(C1=O)C)S(=O)(=O)N=CN2
InChI
InChI=1S/C7H8N4O4S/c1-10-5-4(6(12)11(2)7(10)13)16(14,15)9-3-8-5/h3H,1-2H3,(H,8,9)
InChIKey
RWPCAVKIOKSTOW-UHFFFAOYSA-N
Compound name
5,7-dimethyl-1,1-dioxo-4H-pyrimido[4,5-e][1,2,4]thiadiazine-6,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

244.02663 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.03391 146.2
[M+Na]+ 267.01585 160.5
[M-H]- 243.01935 145.7
[M+NH4]+ 262.06045 161.8
[M+K]+ 282.98979 155.9
[M+H-H2O]+ 227.02389 139.9
[M+HCOO]- 289.02483 159.3
[M+CH3COO]- 303.04048 186.9
[M+Na-2H]- 265.00130 152.0
[M]+ 244.02608 150.5
[M]- 244.02718 150.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.