CID 3044673

57612-06-3

Structural Information

Molecular Formula

C₂₄H₃₂N₂O₂

SMILES

CCCCOC(=O)C1(CCN(CC1)CC2=CC=CC=C2)NCC3=CC=CC=C3

InChI

InChI=1S/C24H32N2O2/c1-2-3-18-28-23(27)24(25-19-21-10-6-4-7-11-21)14-16-26(17-15-24)20-22-12-8-5-9-13-22/h4-13,25H,2-3,14-20H2,1H3

InChIKey

NLRNYERRBQRISV-UHFFFAOYSA-N

Compound name

butyl 1-benzyl-4-(benzylamino)piperidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 380.24637 Da
Monoisotopic Mass: 4.3
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]+	381.253646	196.2
[M+Na]+	403.235588	197.4
[M-H]-	379.239094	202.1
[M+NH4]+	398.280193	206.9
[M+K]+	419.209528	192.4
[M+H-H2O]+	363.243630	184.8
[M+HCOO]-	425.244571	213.3
[M+CH3COO]-	439.260221	220.4
[M+Na-2H]-	401.221036	197.9
[M]+	380.24582142	193.4
[M]-	380.24691858	193.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe