CID 203354

Ahr 209

Structural Information

Molecular Formula

C₂₀H₂₄ClNO

SMILES

CC(C)N1CCC(C1)OC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H24ClNO/c1-15(2)22-13-12-19(14-22)23-20(16-6-4-3-5-7-16)17-8-10-18(21)11-9-17/h3-11,15,19-20H,12-14H2,1-2H3

InChIKey

YSZALNAJBHLGFL-UHFFFAOYSA-N

Compound name

3-[(4-chlorophenyl)-phenylmethoxy]-1-propan-2-ylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 329.15463 Da
Monoisotopic Mass: 4.9
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]+	330.161906	180.4
[M+Na]+	352.143848	185.5
[M-H]-	328.147354	187.7
[M+NH4]+	347.188453	194.9
[M+K]+	368.117788	179.7
[M+H-H2O]+	312.151890	171.4
[M+HCOO]-	374.152831	194.2
[M+CH3COO]-	388.168481	190.2
[M+Na-2H]-	350.129296	178.4
[M]+	329.15408142	180.5
[M]-	329.15517858	180.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe