CID 475122

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

Structural Information

Molecular Formula
C19H20N2O5S
SMILES
C1=CC=C(C=C1)COCN2C=CC(=O)N(S2(=O)=O)COCC3=CC=CC=C3
InChI
InChI=1S/C19H20N2O5S/c22-19-11-12-20(15-25-13-17-7-3-1-4-8-17)27(23,24)21(19)16-26-14-18-9-5-2-6-10-18/h1-12H,13-16H2
InChIKey
NOKAHGIBPZNLFU-UHFFFAOYSA-N
Compound name
1,1-dioxo-2,6-bis(phenylmethoxymethyl)-1,2,6-thiadiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.10928 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.11656 188.2
[M+Na]+ 411.09850 195.7
[M-H]- 387.10200 194.9
[M+NH4]+ 406.14310 198.6
[M+K]+ 427.07244 190.9
[M+H-H2O]+ 371.10654 177.7
[M+HCOO]- 433.10748 203.2
[M+CH3COO]- 447.12313 213.8
[M+Na-2H]- 409.08395 191.1
[M]+ 388.10873 193.0
[M]- 388.10983 193.0
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.