CID 82483177

1-butyl-2-(piperidin-4-yl)-1h-1,3-benzodiazole dihydrochloride

Structural Information

Molecular Formula

C₁₆H₂₃N₃

SMILES

CCCCN1C2=CC=CC=C2N=C1C3CCNCC3

InChI

InChI=1S/C16H23N3/c1-2-3-12-19-15-7-5-4-6-14(15)18-16(19)13-8-10-17-11-9-13/h4-7,13,17H,2-3,8-12H2,1H3

InChIKey

LNNATDIRWFLEOP-UHFFFAOYSA-N

Compound name

1-butyl-2-piperidin-4-ylbenzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 257.1892 Da
Monoisotopic Mass: 2.8
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]+	258.196476	162.8
[M+Na]+	280.178418	169.3
[M-H]-	256.181924	164.2
[M+NH4]+	275.223023	177.7
[M+K]+	296.152358	163.3
[M+H-H2O]+	240.186460	153.1
[M+HCOO]-	302.187401	178.7
[M+CH3COO]-	316.203051	172.6
[M+Na-2H]-	278.163866	165.9
[M]+	257.18865142	159.7
[M]-	257.18974858	159.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe