CID 317181

6-(4-dimethylaminophenyl)-1,3,5-thiadiazine-2,4-dione

Structural Information

Molecular Formula
C11H11N3O2S
SMILES
CN(C)C1=CC=C(C=C1)C2=NC(=O)NC(=O)S2
InChI
InChI=1S/C11H11N3O2S/c1-14(2)8-5-3-7(4-6-8)9-12-10(15)13-11(16)17-9/h3-6H,1-2H3,(H,13,15,16)
InChIKey
QYPZHYAJLJYXIX-UHFFFAOYSA-N
Compound name
6-[4-(dimethylamino)phenyl]-1,3,5-thiadiazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

249.0572 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.06448 151.5
[M+Na]+ 272.04642 161.8
[M-H]- 248.04992 156.8
[M+NH4]+ 267.09102 166.6
[M+K]+ 288.02036 157.2
[M+H-H2O]+ 232.05446 143.4
[M+HCOO]- 294.05540 169.9
[M+CH3COO]- 308.07105 193.9
[M+Na-2H]- 270.03187 155.4
[M]+ 249.05665 154.0
[M]- 249.05775 154.0
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.