CID 44435504

Chembl437182

Structural Information

Molecular Formula

C₂₂H₂₀N₂O₂

SMILES

CC1=CC(=CC(=C1OC)C)C2=CC=C(O2)/C=C/C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H20N2O2/c1-14-12-16(13-15(2)22(14)25-3)20-10-8-17(26-20)9-11-21-23-18-6-4-5-7-19(18)24-21/h4-13H,1-3H3,(H,23,24)/b11-9+

InChIKey

MHUKPFMTIKTTAJ-PKNBQFBNSA-N

Compound name

2-[(E)-2-[5-(4-methoxy-3,5-dimethylphenyl)furan-2-yl]ethenyl]-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 344.15247 Da
Monoisotopic Mass: 5.3
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]+	345.159746	183.5
[M+Na]+	367.141688	194.6
[M-H]-	343.145194	192.6
[M+NH4]+	362.186293	197.3
[M+K]+	383.115628	188.3
[M+H-H2O]+	327.149730	175.1
[M+HCOO]-	389.150671	204.8
[M+CH3COO]-	403.166321	195.3
[M+Na-2H]-	365.127136	184.0
[M]+	344.15192142	188.4
[M]-	344.15301858	188.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.