CID 454335

5,5di-4pyridsme hydantoin

Structural Information

Molecular Formula

C₁₅H₁₄N₄O₂S₂

SMILES

C1=CN=CC=C1SCC2(C(=O)NC(=O)N2)CSC3=CC=NC=C3

InChI

InChI=1S/C15H14N4O2S2/c20-13-15(19-14(21)18-13,9-22-11-1-5-16-6-2-11)10-23-12-3-7-17-8-4-12/h1-8H,9-10H2,(H2,18,19,20,21)

InChIKey

GUMLFELGTUQTMW-UHFFFAOYSA-N

Compound name

5,5-bis(pyridin-4-ylsulfanylmethyl)imidazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 346.05582 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]+	347.06310	173.5
[M+Na]+	369.04504	182.5
[M-H]-	345.04854	175.3
[M+NH4]+	364.08964	184.5
[M+K]+	385.01898	174.3
[M+H-H2O]+	329.05308	165.9
[M+HCOO]-	391.05402	180.0
[M+CH3COO]-	405.06967	182.1
[M+Na-2H]-	367.03049	173.8
[M]+	346.05527	172.9
[M]-	346.05637	172.9

Literature stripe

literature stripe

Patent stripe

patents stripe