CID 3007512

Chembl28693

Structural Information

Molecular Formula

C₂₁H₂₁ClN₂O

SMILES

CC1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)C(=C(C)C)N3C=CN=C3

InChI

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

InChIKey

XKTAAOWQASKLQI-UHFFFAOYSA-N

Compound name

1-[1-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]-2-methylprop-1-enyl]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	185.2
[M+Na]+	375.123468	193.1
[M-H]-	351.126974	192.1
[M+NH4]+	370.168073	197.8
[M+K]+	391.097408	186.0
[M+H-H2O]+	335.131510	175.2
[M+HCOO]-	397.132451	200.3
[M+CH3COO]-	411.148101	195.3
[M+Na-2H]-	373.108916	184.0
[M]+	352.13370142	188.6
[M]-	352.13479858	188.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.