CID 4835028

95110-30-8

Structural Information

Molecular Formula

C₁₃H₁₄N₂O₂S

SMILES

C1C2C(=O)N(CC(=O)N2CS1)CC3=CC=CC=C3

InChI

InChI=1S/C13H14N2O2S/c16-12-7-14(6-10-4-2-1-3-5-10)13(17)11-8-18-9-15(11)12/h1-5,11H,6-9H2

InChIKey

NUEYRYTVWQWFAU-UHFFFAOYSA-N

Compound name

7-benzyl-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 262.0776 Da
Monoisotopic Mass: 1.1
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]+	263.084876	158.2
[M+Na]+	285.066818	166.3
[M-H]-	261.070324	162.9
[M+NH4]+	280.111423	175.6
[M+K]+	301.040758	161.9
[M+H-H2O]+	245.074860	150.9
[M+HCOO]-	307.075801	171.1
[M+CH3COO]-	321.091451	169.5
[M+Na-2H]-	283.052266	158.2
[M]+	262.07705142	157.1
[M]-	262.07814858	157.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.