CID 6376886

5-(4-alliloxybenzylidene)-2-thiohydantoin

Structural Information

Molecular Formula

C₁₃H₁₂N₂O₂S

SMILES

C=CCOC1=CC=C(C=C1)/C=C/2\C(=O)NC(=S)N2

InChI

InChI=1S/C13H12N2O2S/c1-2-7-17-10-5-3-9(4-6-10)8-11-12(16)15-13(18)14-11/h2-6,8H,1,7H2,(H2,14,15,16,18)/b11-8+

InChIKey

NNEDBPFIFLGKCT-DHZHZOJOSA-N

Compound name

(5E)-5-[(4-prop-2-enoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 260.06195 Da
Monoisotopic Mass: 2.3
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]+	261.069226	159.5
[M+Na]+	283.051168	167.9
[M-H]-	259.054674	161.1
[M+NH4]+	278.095773	174.8
[M+K]+	299.025108	160.6
[M+H-H2O]+	243.059210	152.7
[M+HCOO]-	305.060151	172.7
[M+CH3COO]-	319.075801	187.3
[M+Na-2H]-	281.036616	157.4
[M]+	260.06140142	157.0
[M]-	260.06249858	157.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.