CID 475123

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

Structural Information

Molecular Formula
C20H22N2O5S
SMILES
CC1=CC(=O)N(S(=O)(=O)N1COCC2=CC=CC=C2)COCC3=CC=CC=C3
InChI
InChI=1S/C20H22N2O5S/c1-17-12-20(23)22(16-27-14-19-10-6-3-7-11-19)28(24,25)21(17)15-26-13-18-8-4-2-5-9-18/h2-12H,13-16H2,1H3
InChIKey
PSOGKXRYHRANRS-UHFFFAOYSA-N
Compound name
5-methyl-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

402.12494 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.13222 192.2
[M+Na]+ 425.11416 200.1
[M-H]- 401.11766 199.1
[M+NH4]+ 420.15876 202.3
[M+K]+ 441.08810 195.1
[M+H-H2O]+ 385.12220 181.7
[M+HCOO]- 447.12314 206.9
[M+CH3COO]- 461.13879 217.9
[M+Na-2H]- 423.09961 194.1
[M]+ 402.12439 197.8
[M]- 402.12549 197.8
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.