CID 3058801

Gyki-13380

Structural Information

Molecular Formula

C₁₆H₂₂N₂O₃

SMILES

COC1=C(C=C(C=C1)CC2CNC(=O)N2)OC3CCCC3

InChI

InChI=1S/C16H22N2O3/c1-20-14-7-6-11(8-12-10-17-16(19)18-12)9-15(14)21-13-4-2-3-5-13/h6-7,9,12-13H,2-5,8,10H2,1H3,(H2,17,18,19)

InChIKey

YOFWLAASFMHLAD-UHFFFAOYSA-N

Compound name

4-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]imidazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 28
Patents: 290.16306 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]+	291.17034	168.6
[M+Na]+	313.15228	173.0
[M-H]-	289.15578	172.6
[M+NH4]+	308.19688	183.0
[M+K]+	329.12622	168.6
[M+H-H2O]+	273.16032	160.2
[M+HCOO]-	335.16126	184.6
[M+CH3COO]-	349.17691	194.6
[M+Na-2H]-	311.13773	165.7
[M]+	290.16251	163.8
[M]-	290.16361	163.8

Literature stripe

literature stripe

Patent stripe

patents stripe