CID 514166

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

Structural Information

Molecular Formula
C11H8N2O3S
SMILES
CC(=O)C1=CC=C(C=C1)C2=NC(=O)NC(=O)S2
InChI
InChI=1S/C11H8N2O3S/c1-6(14)7-2-4-8(5-3-7)9-12-10(15)13-11(16)17-9/h2-5H,1H3,(H,13,15,16)
InChIKey
WGTPTIPTYKPZLM-UHFFFAOYSA-N
Compound name
6-(4-acetylphenyl)-1,3,5-thiadiazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

248.02556 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.03284 150.0
[M+Na]+ 271.01478 160.7
[M-H]- 247.01828 153.9
[M+NH4]+ 266.05938 164.5
[M+K]+ 286.98872 155.5
[M+H-H2O]+ 231.02282 142.4
[M+HCOO]- 293.02376 166.2
[M+CH3COO]- 307.03941 187.9
[M+Na-2H]- 269.00023 152.9
[M]+ 248.02501 152.0
[M]- 248.02611 152.0
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.