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]+ 250.064476 151.5
[M+Na]+ 272.046418 161.8
[M-H]- 248.049924 156.8
[M+NH4]+ 267.091023 166.6
[M+K]+ 288.020358 157.2
[M+H-H2O]+ 232.054460 143.4
[M+HCOO]- 294.055401 169.9
[M+CH3COO]- 308.071051 193.9
[M+Na-2H]- 270.031866 155.4
[M]+ 249.05665142 154.0
[M]- 249.05774858 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

literature stripe

Patent stripe

No patent data available for this compound.