CID 72064

Bietamiverine hydrochloride

Structural Information

Molecular Formula

C₁₉H₃₀N₂O₂

SMILES

CCN(CC)CCOC(=O)C(C1=CC=CC=C1)N2CCCCC2

InChI

InChI=1S/C19H30N2O2/c1-3-20(4-2)15-16-23-19(22)18(17-11-7-5-8-12-17)21-13-9-6-10-14-21/h5,7-8,11-12,18H,3-4,6,9-10,13-16H2,1-2H3

InChIKey

JGTJANXYSNVLMQ-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl 2-phenyl-2-piperidin-1-ylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1089
Patents: 318.23074 Da
Monoisotopic Mass: 3.5
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]+	319.23802	180.7
[M+Na]+	341.21996	180.8
[M-H]-	317.22346	184.9
[M+NH4]+	336.26456	192.9
[M+K]+	357.19390	179.1
[M+H-H2O]+	301.22800	170.7
[M+HCOO]-	363.22894	197.8
[M+CH3COO]-	377.24459	213.2
[M+Na-2H]-	339.20541	180.4
[M]+	318.23019	179.0
[M]-	318.23129	179.0

Literature stripe

literature stripe

Patent stripe

patents stripe