CID 3007511

Chembl26902

Structural Information

Molecular Formula

C₂₁H₂₂N₂O

SMILES

CC1=CC=C(C=C1)COC2=CC=CC=C2C(=C(C)C)N3C=CN=C3

InChI

InChI=1S/C21H22N2O/c1-16(2)21(23-13-12-22-15-23)19-6-4-5-7-20(19)24-14-18-10-8-17(3)9-11-18/h4-13,15H,14H2,1-3H3

InChIKey

ALIRPAWULSNGPC-UHFFFAOYSA-N

Compound name

1-[2-methyl-1-[2-[(4-methylphenyl)methoxy]phenyl]prop-1-enyl]imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 318.17322 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]+	319.180496	178.4
[M+Na]+	341.162438	184.6
[M-H]-	317.165944	185.3
[M+NH4]+	336.207043	191.2
[M+K]+	357.136378	179.2
[M+H-H2O]+	301.170480	168.1
[M+HCOO]-	363.171421	198.2
[M+CH3COO]-	377.187071	208.4
[M+Na-2H]-	339.147886	178.5
[M]+	318.17267142	179.1
[M]-	318.17376858	179.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.