CID 3007489

Chembl285318

Structural Information

Molecular Formula

C₂₁H₂₁ClN₂O

SMILES

CCCC(C1=CC=CC=C1)OC2=C(C=C(C=C2)Cl)C(=C)N3C=CN=C3

InChI

InChI=1S/C21H21ClN2O/c1-3-7-20(17-8-5-4-6-9-17)25-21-11-10-18(22)14-19(21)16(2)24-13-12-23-15-24/h4-6,8-15,20H,2-3,7H2,1H3

InChIKey

CCICQPYJDAUYAF-UHFFFAOYSA-N

Compound name

1-[1-[5-chloro-2-(1-phenylbutoxy)phenyl]ethenyl]imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 352.13425 Da
Monoisotopic Mass: 5.6
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]+	353.141526	185.0
[M+Na]+	375.123468	191.9
[M-H]-	351.126974	191.5
[M+NH4]+	370.168073	197.2
[M+K]+	391.097408	184.8
[M+H-H2O]+	335.131510	174.7
[M+HCOO]-	397.132451	200.1
[M+CH3COO]-	411.148101	194.7
[M+Na-2H]-	373.108916	184.6
[M]+	352.13370142	188.0
[M]-	352.13479858	188.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.