CID 3050175

Compound 751-393

Structural Information

Molecular Formula

C₂₀H₂₅N₃O

SMILES

C1CN(CCC1C2=CC=CC=C2)CCNC3=CC=CC=C3C(=O)N

InChI

InChI=1S/C20H25N3O/c21-20(24)18-8-4-5-9-19(18)22-12-15-23-13-10-17(11-14-23)16-6-2-1-3-7-16/h1-9,17,22H,10-15H2,(H2,21,24)

InChIKey

CGLCNQMXTLXHKP-UHFFFAOYSA-N

Compound name

2-[2-(4-phenylpiperidin-1-yl)ethylamino]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 323.19977 Da
Monoisotopic Mass: 2.9
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]+	324.207046	178.2
[M+Na]+	346.188988	180.4
[M-H]-	322.192494	184.4
[M+NH4]+	341.233593	189.0
[M+K]+	362.162928	174.9
[M+H-H2O]+	306.197030	167.6
[M+HCOO]-	368.197971	197.0
[M+CH3COO]-	382.213621	213.4
[M+Na-2H]-	344.174436	180.0
[M]+	323.19922142	171.4
[M]-	323.20031858	171.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe