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]+ 313.08528 165.7
[M+Na]+ 335.06722 174.8
[M-H]- 311.07072 168.8
[M+NH4]+ 330.11182 179.5
[M+K]+ 351.04116 170.9
[M+H-H2O]+ 295.07526 158.1
[M+HCOO]- 357.07620 179.8
[M+CH3COO]- 371.09185 198.8
[M+Na-2H]- 333.05267 168.2
[M]+ 312.07745 169.9
[M]- 312.07855 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.