CID 3860937

3-[2-(3,4-dimethoxyphenyl)ethyl]-5-(propan-2-yl)-2-sulfanylideneimidazolidin-4-one

Structural Information

Molecular Formula

C₁₆H₂₂N₂O₃S

SMILES

CC(C)C1C(=O)N(C(=S)N1)CCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C16H22N2O3S/c1-10(2)14-15(19)18(16(22)17-14)8-7-11-5-6-12(20-3)13(9-11)21-4/h5-6,9-10,14H,7-8H2,1-4H3,(H,17,22)

InChIKey

INKQEGZHZRPTOF-UHFFFAOYSA-N

Compound name

3-[2-(3,4-dimethoxyphenyl)ethyl]-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 322.1351 Da
Monoisotopic Mass: 3.0
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]+	323.142376	175.6
[M+Na]+	345.124318	183.6
[M-H]-	321.127824	178.8
[M+NH4]+	340.168923	189.6
[M+K]+	361.098258	178.9
[M+H-H2O]+	305.132360	168.5
[M+HCOO]-	367.133301	188.0
[M+CH3COO]-	381.148951	206.4
[M+Na-2H]-	343.109766	170.5
[M]+	322.13455142	179.2
[M]-	322.13564858	179.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.