CID 454319

5,5di-cyhexmesme hydantoin

Structural Information

Molecular Formula

C₁₉H₃₂N₂O₂S₂

SMILES

C1CCC(CC1)CSCC2(C(=O)NC(=O)N2)CSCC3CCCCC3

InChI

InChI=1S/C19H32N2O2S2/c22-17-19(21-18(23)20-17,13-24-11-15-7-3-1-4-8-15)14-25-12-16-9-5-2-6-10-16/h15-16H,1-14H2,(H2,20,21,22,23)

InChIKey

FUIUFQXRLLQBGS-UHFFFAOYSA-N

Compound name

5,5-bis(cyclohexylmethylsulfanylmethyl)imidazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 384.19052 Da
Monoisotopic Mass: 4.9
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]+	385.19780	189.4
[M+Na]+	407.17974	190.0
[M-H]-	383.18324	190.2
[M+NH4]+	402.22434	200.8
[M+K]+	423.15368	183.2
[M+H-H2O]+	367.18778	182.4
[M+HCOO]-	429.18872	188.4
[M+CH3COO]-	443.20437	208.3
[M+Na-2H]-	405.16519	183.1
[M]+	384.18997	181.3
[M]-	384.19107	181.3

Literature stripe

literature stripe

Patent stripe

patents stripe