CID 57586032

875664-91-8

Structural Information

Molecular Formula

C₁₄H₁₉N₃

SMILES

CCC1=NC2=CC=CC=C2N1C3CCNCC3

InChI

InChI=1S/C14H19N3/c1-2-14-16-12-5-3-4-6-13(12)17(14)11-7-9-15-10-8-11/h3-6,11,15H,2,7-10H2,1H3

InChIKey

IGBQZVHOCJOZRS-UHFFFAOYSA-N

Compound name

2-ethyl-1-piperidin-4-ylbenzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 229.1579 Da
Monoisotopic Mass: 2.3
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]+	230.16518	153.9
[M+Na]+	252.14712	161.3
[M-H]-	228.15062	155.7
[M+NH4]+	247.19172	169.9
[M+K]+	268.12106	155.7
[M+H-H2O]+	212.15516	144.6
[M+HCOO]-	274.15610	170.5
[M+CH3COO]-	288.17175	164.6
[M+Na-2H]-	250.13257	158.0
[M]+	229.15735	150.1
[M]-	229.15845	150.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe