CID 514162

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

Structural Information

Molecular Formula
C10H8N2O2S
SMILES
CC1=CC=C(C=C1)C2=NC(=O)NC(=O)S2
InChI
InChI=1S/C10H8N2O2S/c1-6-2-4-7(5-3-6)8-11-9(13)12-10(14)15-8/h2-5H,1H3,(H,12,13,14)
InChIKey
HBOKQNKYVRRUIO-UHFFFAOYSA-N
Compound name
6-(4-methylphenyl)-1,3,5-thiadiazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

220.03065 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.037926 143.2
[M+Na]+ 243.019868 154.8
[M-H]- 219.023374 147.3
[M+NH4]+ 238.064473 159.2
[M+K]+ 258.993808 149.2
[M+H-H2O]+ 203.027910 135.9
[M+HCOO]- 265.028851 160.5
[M+CH3COO]- 279.044501 156.3
[M+Na-2H]- 241.005316 147.6
[M]+ 220.03010142 144.8
[M]- 220.03119858 144.8
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.