CID 24751889

459818-48-5

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₂S

SMILES

C[C@]1(C(=O)NC(=O)N1)CSCC2=CC=CC=C2

InChI

InChI=1S/C12H14N2O2S/c1-12(10(15)13-11(16)14-12)8-17-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,13,14,15,16)/t12-/m1/s1

InChIKey

QDXMWEMIYNOVGF-GFCCVEGCSA-N

Compound name

(5S)-5-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
Patents: 250.0776 Da
Monoisotopic Mass: 1.3
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]+	251.084876	155.2
[M+Na]+	273.066818	163.4
[M-H]-	249.070324	156.7
[M+NH4]+	268.111423	172.7
[M+K]+	289.040758	157.9
[M+H-H2O]+	233.074860	148.9
[M+HCOO]-	295.075801	168.4
[M+CH3COO]-	309.091451	184.9
[M+Na-2H]-	271.052266	155.9
[M]+	250.07705142	153.9
[M]-	250.07814858	153.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe