CID 454338

5bzsme5hsme hydantoin

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₂S₂

SMILES

C1=CC=C(C=C1)CSCC2(C(=O)NC(=O)N2)CS

InChI

InChI=1S/C12H14N2O2S2/c15-10-12(7-17,14-11(16)13-10)8-18-6-9-4-2-1-3-5-9/h1-5,17H,6-8H2,(H2,13,14,15,16)

InChIKey

CFYCZWGZPDQOTF-UHFFFAOYSA-N

Compound name

5-(benzylsulfanylmethyl)-5-(sulfanylmethyl)imidazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 282.04968 Da
Monoisotopic Mass: 1.2
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]+	283.05696	159.4
[M+Na]+	305.03890	167.8
[M-H]-	281.04240	160.5
[M+NH4]+	300.08350	175.9
[M+K]+	321.01284	161.1
[M+H-H2O]+	265.04694	153.9
[M+HCOO]-	327.04788	167.3
[M+CH3COO]-	341.06353	189.6
[M+Na-2H]-	303.02435	158.7
[M]+	282.04913	159.3
[M]-	282.05023	159.3

Literature stripe

literature stripe

Patent stripe

patents stripe