CID 6023343

(5e)-5-[(2,3-dimethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₃S

SMILES

COC1=CC=CC(=C1OC)/C=C/2\C(=O)NC(=S)N2

InChI

InChI=1S/C12H12N2O3S/c1-16-9-5-3-4-7(10(9)17-2)6-8-11(15)14-12(18)13-8/h3-6H,1-2H3,(H2,13,14,15,18)/b8-6+

InChIKey

NPAOPHCMACMKSP-SOFGYWHQSA-N

Compound name

(5E)-5-[(2,3-dimethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 264.05685 Da
Monoisotopic Mass: 1.6
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]+	265.064126	158.8
[M+Na]+	287.046068	168.0
[M-H]-	263.049574	160.9
[M+NH4]+	282.090673	174.2
[M+K]+	303.020008	162.1
[M+H-H2O]+	247.054110	152.3
[M+HCOO]-	309.055051	172.3
[M+CH3COO]-	323.070701	188.5
[M+Na-2H]-	285.031516	156.7
[M]+	264.05630142	158.6
[M]-	264.05739858	158.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.