CID 5087

Ro 20-1724

Structural Information

Molecular Formula

C₁₅H₂₂N₂O₃

SMILES

CCCCOC1=C(C=CC(=C1)CC2CNC(=O)N2)OC

InChI

InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)

InChIKey

PDMUULPVBYQBBK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 469
References: 709
Patents: 278.16306 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]+	279.17034	166.5
[M+Na]+	301.15228	172.4
[M-H]-	277.15578	167.3
[M+NH4]+	296.19688	180.3
[M+K]+	317.12622	167.9
[M+H-H2O]+	261.16032	158.2
[M+HCOO]-	323.16126	183.5
[M+CH3COO]-	337.17691	194.7
[M+Na-2H]-	299.13773	166.4
[M]+	278.16251	165.8
[M]-	278.16361	165.8

Literature stripe

literature stripe

Patent stripe

patents stripe