CID 3009804

6-(2-hydroxyethoxymethyl)-5-methyl-1,1-dioxo-2-phenyl-1,2,6-thiadiazin-3-one

Structural Information

Molecular Formula
C13H16N2O5S
SMILES
CC1=CC(=O)N(S(=O)(=O)N1COCCO)C2=CC=CC=C2
InChI
InChI=1S/C13H16N2O5S/c1-11-9-13(17)15(12-5-3-2-4-6-12)21(18,19)14(11)10-20-8-7-16/h2-6,9,16H,7-8,10H2,1H3
InChIKey
TYSHIJJGCRXBHY-UHFFFAOYSA-N
Compound name
6-(2-hydroxyethoxymethyl)-5-methyl-1,1-dioxo-2-phenyl-1,2,6-thiadiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.078 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.085276 165.7
[M+Na]+ 335.067218 174.8
[M-H]- 311.070724 168.8
[M+NH4]+ 330.111823 179.5
[M+K]+ 351.041158 170.9
[M+H-H2O]+ 295.075260 158.1
[M+HCOO]- 357.076201 179.8
[M+CH3COO]- 371.091851 198.8
[M+Na-2H]- 333.052666 168.2
[M]+ 312.07745142 169.9
[M]- 312.07854858 169.9
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.