CID 3045048

58120-03-9

Structural Information

Molecular Formula
C16H16N2O2S
SMILES
CC1(CC(=NS(=O)(=O)N1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H16N2O2S/c1-16(14-10-6-3-7-11-14)12-15(17-21(19,20)18-16)13-8-4-2-5-9-13/h2-11,18H,12H2,1H3
InChIKey
MLTKQXFHNAITJV-UHFFFAOYSA-N
Compound name
3-methyl-3,5-diphenyl-2,4-dihydro-1,2,6-thiadiazine 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.09326 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.10054 166.9
[M+Na]+ 323.08248 176.1
[M-H]- 299.08598 172.9
[M+NH4]+ 318.12708 182.6
[M+K]+ 339.05642 170.1
[M+H-H2O]+ 283.09052 158.1
[M+HCOO]- 345.09146 180.9
[M+CH3COO]- 359.10711 177.7
[M+Na-2H]- 321.06793 172.3
[M]+ 300.09271 165.7
[M]- 300.09381 165.7
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.