CID 3007448

Chembl27484

Structural Information

Molecular Formula

C₁₅H₁₈N₂O

SMILES

CCCCOC1=CC=CC=C1C(=C)N2C=CN=C2

InChI

InChI=1S/C15H18N2O/c1-3-4-11-18-15-8-6-5-7-14(15)13(2)17-10-9-16-12-17/h5-10,12H,2-4,11H2,1H3

InChIKey

YKEGJWNMWZFKQF-UHFFFAOYSA-N

Compound name

1-[1-(2-butoxyphenyl)ethenyl]imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 242.1419 Da
Monoisotopic Mass: 3.4
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]+	243.149176	157.1
[M+Na]+	265.131118	164.1
[M-H]-	241.134624	160.8
[M+NH4]+	260.175723	173.5
[M+K]+	281.105058	160.3
[M+H-H2O]+	225.139160	148.2
[M+HCOO]-	287.140101	178.7
[M+CH3COO]-	301.155751	193.4
[M+Na-2H]-	263.116566	160.1
[M]+	242.14135142	158.8
[M]-	242.14244858	158.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.