CID 6475231

5-(4-methoxy-2,5-dimethylobenzylidene)-2-thiohydantoin

Structural Information

Molecular Formula

C₁₃H₁₄N₂O₂S

SMILES

CC1=CC(=C(C=C1OC)C)/C=C/2\C(=O)NC(=S)N2

InChI

InChI=1S/C13H14N2O2S/c1-7-5-11(17-3)8(2)4-9(7)6-10-12(16)15-13(18)14-10/h4-6H,1-3H3,(H2,14,15,16,18)/b10-6+

InChIKey

ITHXRURJHNIMDO-UXBLZVDNSA-N

Compound name

(5E)-5-[(4-methoxy-2,5-dimethylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 262.0776 Da
Monoisotopic Mass: 2.4
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	159.8
[M+Na]+	285.066818	169.6
[M-H]-	261.070324	162.1
[M+NH4]+	280.111423	175.7
[M+K]+	301.040758	163.0
[M+H-H2O]+	245.074860	153.6
[M+HCOO]-	307.075801	172.7
[M+CH3COO]-	321.091451	190.6
[M+Na-2H]-	283.052266	156.4
[M]+	262.07705142	158.9
[M]-	262.07814858	158.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.