CID 514161

2h-1,3,5-thiadiazine-2,4(3h)-dione, 6-(phenylmethyl)-

Structural Information

Molecular Formula

C₁₀H₈N₂O₂S

SMILES

C1=CC=C(C=C1)CC2=NC(=O)NC(=O)S2

InChI

InChI=1S/C10H8N2O2S/c13-9-11-8(15-10(14)12-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,12,13,14)

InChIKey

PREWKURSUZZSQV-UHFFFAOYSA-N

Compound name

6-benzyl-1,3,5-thiadiazine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 220.03065 Da
Monoisotopic Mass: 1.8
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]+	221.037926	143.2
[M+Na]+	243.019868	153.9
[M-H]-	219.023374	146.9
[M+NH4]+	238.064473	158.9
[M+K]+	258.993808	148.4
[M+H-H2O]+	203.027910	135.7
[M+HCOO]-	265.028851	160.6
[M+CH3COO]-	279.044501	156.0
[M+Na-2H]-	241.005316	148.3
[M]+	220.03010142	144.4
[M]-	220.03119858	144.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.