CID 3007459

Chembl26854

Structural Information

Molecular Formula

C₁₈H₁₄Cl₂N₂O

SMILES

C=C(C1=CC=CC=C1OCC2=C(C=C(C=C2)Cl)Cl)N3C=CN=C3

InChI

InChI=1S/C18H14Cl2N2O/c1-13(22-9-8-21-12-22)16-4-2-3-5-18(16)23-11-14-6-7-15(19)10-17(14)20/h2-10,12H,1,11H2

InChIKey

WSJCEFBEHAVGML-UHFFFAOYSA-N

Compound name

1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1289
Patents: 344.0483 Da
Monoisotopic Mass: 4.9
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]+	345.05558	178.0
[M+Na]+	367.03752	187.8
[M-H]-	343.04102	184.3
[M+NH4]+	362.08212	191.4
[M+K]+	383.01146	179.8
[M+H-H2O]+	327.04556	168.5
[M+HCOO]-	389.04650	189.8
[M+CH3COO]-	403.06215	188.6
[M+Na-2H]-	365.02297	178.7
[M]+	344.04775	182.2
[M]-	344.04885	182.2

Literature stripe

literature stripe

Patent stripe

patents stripe