CID 800809

433328-82-6

Structural Information

Molecular Formula

C₁₇H₁₈N₂O

SMILES

CCN1C2=CC=CC=C2N=C1COC3=CC=C(C=C3)C

InChI

InChI=1S/C17H18N2O/c1-3-19-16-7-5-4-6-15(16)18-17(19)12-20-14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3

InChIKey

FBXDQANPSGHGFG-UHFFFAOYSA-N

Compound name

1-ethyl-2-[(4-methylphenoxy)methyl]benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 266.1419 Da
Monoisotopic Mass: 3.6
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]+	267.14918	162.0
[M+Na]+	289.13112	178.5
[M+NH4]+	284.17572	171.0
[M+K]+	305.10506	171.2
[M-H]-	265.13462	166.5
[M+Na-2H]-	287.11657	171.3
[M]+	266.14135	165.9
[M]-	266.14245	165.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.