CID 3007515

Chembl281319

Structural Information

Molecular Formula

C₁₆H₂₀N₂O

SMILES

CCCOC1=CC=CC=C1C(=C(C)C)N2C=CN=C2

InChI

InChI=1S/C16H20N2O/c1-4-11-19-15-8-6-5-7-14(15)16(13(2)3)18-10-9-17-12-18/h5-10,12H,4,11H2,1-3H3

InChIKey

YFQJWGBBIHEXRT-UHFFFAOYSA-N

Compound name

1-[2-methyl-1-(2-propoxyphenyl)prop-1-enyl]imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 256.15756 Da
Monoisotopic Mass: 3.9
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]+	257.164836	162.2
[M+Na]+	279.146778	168.5
[M-H]-	255.150284	165.9
[M+NH4]+	274.191383	178.0
[M+K]+	295.120718	165.0
[M+H-H2O]+	239.154820	153.3
[M+HCOO]-	301.155761	182.5
[M+CH3COO]-	315.171411	196.6
[M+Na-2H]-	277.132226	163.4
[M]+	256.15701142	163.5
[M]-	256.15810858	163.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.