CID 218240

Verbindungen 453 [german]

Structural Information

Molecular Formula

C₂₁H₃₂N₂O

SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CN(C=N2)CCCC

InChI

InChI=1S/C21H32N2O/c1-3-5-7-8-9-10-16-24-20-13-11-19(12-14-20)21-17-23(18-22-21)15-6-4-2/h11-14,17-18H,3-10,15-16H2,1-2H3

InChIKey

BAEDQMXNFRCJMY-UHFFFAOYSA-N

Compound name

1-butyl-4-(4-octoxyphenyl)imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 328.25146 Da
Monoisotopic Mass: 6.2
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]+	329.258736	184.8
[M+Na]+	351.240678	190.1
[M-H]-	327.244184	187.6
[M+NH4]+	346.285283	198.1
[M+K]+	367.214618	184.9
[M+H-H2O]+	311.248720	174.7
[M+HCOO]-	373.249661	205.1
[M+CH3COO]-	387.265311	212.3
[M+Na-2H]-	349.226126	185.0
[M]+	328.25091142	190.3
[M]-	328.25200858	190.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe