CID 4605894

62871-18-5

Structural Information

Molecular Formula

C₁₇H₁₇ClN₂O

SMILES

CCCCOC1=C(C=C(C=C1)Cl)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C17H17ClN2O/c1-2-3-10-21-16-9-8-12(18)11-13(16)17-19-14-6-4-5-7-15(14)20-17/h4-9,11H,2-3,10H2,1H3,(H,19,20)

InChIKey

LUSUIYPWXBTHMA-UHFFFAOYSA-N

Compound name

2-(2-butoxy-5-chlorophenyl)-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 300.10294 Da
Monoisotopic Mass: 4.5
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]+	301.110216	169.0
[M+Na]+	323.092158	179.7
[M-H]-	299.095664	172.9
[M+NH4]+	318.136763	184.8
[M+K]+	339.066098	172.0
[M+H-H2O]+	283.100200	160.6
[M+HCOO]-	345.101141	185.7
[M+CH3COO]-	359.116791	180.6
[M+Na-2H]-	321.077606	173.4
[M]+	300.10239142	173.9
[M]-	300.10348858	173.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.