CID 475124

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

Structural Information

Molecular Formula
C11H12N2O4S
SMILES
C1=CC=C(C=C1)COCN2C=CC(=O)NS2(=O)=O
InChI
InChI=1S/C11H12N2O4S/c14-11-6-7-13(18(15,16)12-11)9-17-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,12,14)
InChIKey
XXNHGZNTJGTYPA-UHFFFAOYSA-N
Compound name
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

268.0518 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.05908 155.2
[M+Na]+ 291.04102 163.9
[M-H]- 267.04452 158.0
[M+NH4]+ 286.08562 170.4
[M+K]+ 307.01496 159.7
[M+H-H2O]+ 251.04906 147.7
[M+HCOO]- 313.05000 169.9
[M+CH3COO]- 327.06565 188.2
[M+Na-2H]- 289.02647 159.7
[M]+ 268.05125 156.5
[M]- 268.05235 156.5
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.