CID 377743

Nsc659334

Structural Information

Molecular Formula

C₁₆H₁₆N₂O

SMILES

COC1=CC=C(C=C1)CCN2C=NC3=CC=CC=C32

InChI

InChI=1S/C16H16N2O/c1-19-14-8-6-13(7-9-14)10-11-18-12-17-15-4-2-3-5-16(15)18/h2-9,12H,10-11H2,1H3

InChIKey

DGLZHAXLNPRZMZ-UHFFFAOYSA-N

Compound name

1-[2-(4-methoxyphenyl)ethyl]benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 252.12627 Da
Monoisotopic Mass: 3.3
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]+	253.133546	157.2
[M+Na]+	275.115488	167.1
[M-H]-	251.118994	162.6
[M+NH4]+	270.160093	174.5
[M+K]+	291.089428	162.1
[M+H-H2O]+	235.123530	148.2
[M+HCOO]-	297.124471	180.4
[M+CH3COO]-	311.140121	170.0
[M+Na-2H]-	273.100936	163.9
[M]+	252.12572142	161.0
[M]-	252.12681858	161.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe