CID 3055345

72284-41-4

Structural Information

Molecular Formula

C₂₄H₃₁NO₃

SMILES

C1CN(CCC1C(=O)O)CCCCOC2=CC=CC=C2CCC3=CC=CC=C3

InChI

InChI=1S/C24H31NO3/c26-24(27)22-14-17-25(18-15-22)16-6-7-19-28-23-11-5-4-10-21(23)13-12-20-8-2-1-3-9-20/h1-5,8-11,22H,6-7,12-19H2,(H,26,27)

InChIKey

RKZIPMSYEREZRR-UHFFFAOYSA-N

Compound name

1-[4-[2-(2-phenylethyl)phenoxy]butyl]piperidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 381.2304 Da
Monoisotopic Mass: 2.6
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]+	382.237676	195.7
[M+Na]+	404.219618	197.0
[M-H]-	380.223124	200.4
[M+NH4]+	399.264223	204.1
[M+K]+	420.193558	191.4
[M+H-H2O]+	364.227660	184.6
[M+HCOO]-	426.228601	210.4
[M+CH3COO]-	440.244251	217.3
[M+Na-2H]-	402.205066	194.8
[M]+	381.22985142	193.3
[M]-	381.23094858	193.3

Literature stripe

literature stripe

Patent stripe

patents stripe