CID 96668273

2-[1-(3-chlorophenyl)-1h-1,3-benzodiazol-2-yl]ethan-1-amine dihydrochloride

Structural Information

Molecular Formula

C₁₅H₁₄ClN₃

SMILES

C1=CC=C2C(=C1)N=C(N2C3=CC(=CC=C3)Cl)CCN

InChI

InChI=1S/C15H14ClN3/c16-11-4-3-5-12(10-11)19-14-7-2-1-6-13(14)18-15(19)8-9-17/h1-7,10H,8-9,17H2

InChIKey

QAONOAJXFCNANO-UHFFFAOYSA-N

Compound name

2-[1-(3-chlorophenyl)benzimidazol-2-yl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 271.08762 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]+	272.094896	160.9
[M+Na]+	294.076838	172.3
[M-H]-	270.080344	166.0
[M+NH4]+	289.121443	178.1
[M+K]+	310.050778	164.8
[M+H-H2O]+	254.084880	152.6
[M+HCOO]-	316.085821	180.0
[M+CH3COO]-	330.101471	173.4
[M+Na-2H]-	292.062286	166.4
[M]+	271.08707142	164.0
[M]-	271.08816858	164.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.