CID 3017231

61086-12-2

Structural Information

Molecular Formula

C₂₃H₃₀N₂O₂

SMILES

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CC3=CC=CC=C3)COC

InChI

InChI=1S/C23H30N2O2/c1-3-22(26)25(21-12-8-5-9-13-21)23(19-27-2)14-16-24(17-15-23)18-20-10-6-4-7-11-20/h4-13H,3,14-19H2,1-2H3

InChIKey

RIGNIZMZYKGGHY-UHFFFAOYSA-N

Compound name

N-[1-benzyl-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 366.23074 Da
Monoisotopic Mass: 3.8
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]+	367.238016	192.1
[M+Na]+	389.219958	193.9
[M-H]-	365.223464	199.7
[M+NH4]+	384.264563	204.1
[M+K]+	405.193898	190.5
[M+H-H2O]+	349.228000	180.8
[M+HCOO]-	411.228941	210.1
[M+CH3COO]-	425.244591	220.7
[M+Na-2H]-	387.205406	193.6
[M]+	366.23019142	190.2
[M]-	366.23128858	190.2

Literature stripe

literature stripe

Patent stripe

patents stripe