CID 6379531

Stk443913

Structural Information

Molecular Formula

C₁₃H₁₄N₂O₂S

SMILES

CCCOC1=CC=C(C=C1)/C=C/2\C(=O)NC(=S)N2

InChI

InChI=1S/C13H14N2O2S/c1-2-7-17-10-5-3-9(4-6-10)8-11-12(16)15-13(18)14-11/h3-6,8H,2,7H2,1H3,(H2,14,15,16,18)/b11-8+

InChIKey

PCRPNZUOEKIRBO-DHZHZOJOSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 262.0776 Da
Monoisotopic Mass: 2.5
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	160.1
[M+Na]+	285.066818	168.2
[M-H]-	261.070324	161.7
[M+NH4]+	280.111423	175.4
[M+K]+	301.040758	161.6
[M+H-H2O]+	245.074860	153.2
[M+HCOO]-	307.075801	173.1
[M+CH3COO]-	321.091451	188.1
[M+Na-2H]-	283.052266	158.1
[M]+	262.07705142	158.4
[M]-	262.07814858	158.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.