CID 3329340

62871-22-1

Structural Information

Molecular Formula

C₁₆H₁₅ClN₂O₂

SMILES

COCCOC1=C(C=C(C=C1)Cl)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C16H15ClN2O2/c1-20-8-9-21-15-7-6-11(17)10-12(15)16-18-13-4-2-3-5-14(13)19-16/h2-7,10H,8-9H2,1H3,(H,18,19)

InChIKey

WTRDDOHONIBPSQ-UHFFFAOYSA-N

Compound name

2-[5-chloro-2-(2-methoxyethoxy)phenyl]-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 302.0822 Da
Monoisotopic Mass: 3.1
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]+	303.089476	167.1
[M+Na]+	325.071418	178.1
[M-H]-	301.074924	171.3
[M+NH4]+	320.116023	182.8
[M+K]+	341.045358	171.3
[M+H-H2O]+	285.079460	158.8
[M+HCOO]-	347.080401	184.3
[M+CH3COO]-	361.096051	179.0
[M+Na-2H]-	323.056866	172.2
[M]+	302.08165142	173.1
[M]-	302.08274858	173.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.