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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	403.132216	192.2
[M+Na]+	425.114158	200.1
[M-H]-	401.117664	199.1
[M+NH4]+	420.158763	202.3
[M+K]+	441.088098	195.1
[M+H-H2O]+	385.122200	181.7
[M+HCOO]-	447.123141	206.9
[M+CH3COO]-	461.138791	217.9
[M+Na-2H]-	423.099606	194.1
[M]+	402.12439142	197.8
[M]-	402.12548858	197.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.