CID 475125

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

Structural Information

Molecular Formula
C12H14N2O4S
SMILES
CC1=CC(=O)NS(=O)(=O)N1COCC2=CC=CC=C2
InChI
InChI=1S/C12H14N2O4S/c1-10-7-12(15)13-19(16,17)14(10)9-18-8-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,13,15)
InChIKey
ORFWTDNRDQHVOY-UHFFFAOYSA-N
Compound name
5-methyl-1,1-dioxo-6-(phenylmethoxymethyl)-1,2,6-thiadiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.0674 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.07468 159.1
[M+Na]+ 305.05662 168.2
[M-H]- 281.06012 162.1
[M+NH4]+ 300.10122 174.0
[M+K]+ 321.03056 163.8
[M+H-H2O]+ 265.06466 151.6
[M+HCOO]- 327.06560 173.4
[M+CH3COO]- 341.08125 192.4
[M+Na-2H]- 303.04207 162.4
[M]+ 282.06685 161.2
[M]- 282.06795 161.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.