CID 107136

Benzperidine hydrochloride

Structural Information

Molecular Formula

C₂₀H₂₅NO

SMILES

C1CCNC(C1)CCOC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H25NO/c1-3-9-17(10-4-1)20(18-11-5-2-6-12-18)22-16-14-19-13-7-8-15-21-19/h1-6,9-12,19-21H,7-8,13-16H2

InChIKey

WGWXUIWSCMMTSR-UHFFFAOYSA-N

Compound name

2-(2-benzhydryloxyethyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 295.1936 Da
Monoisotopic Mass: 4.1
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]+	296.200876	172.4
[M+Na]+	318.182818	173.6
[M-H]-	294.186324	177.0
[M+NH4]+	313.227423	184.0
[M+K]+	334.156758	168.1
[M+H-H2O]+	278.190860	162.1
[M+HCOO]-	340.191801	188.0
[M+CH3COO]-	354.207451	180.5
[M+Na-2H]-	316.168266	175.0
[M]+	295.19305142	165.7
[M]-	295.19414858	165.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe