CID 3025176

3-(diphenylmethoxy)-1-propylpyrrolidine

Structural Information

Molecular Formula

C₂₀H₂₅NO

SMILES

CCCN1CCC(C1)OC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H25NO/c1-2-14-21-15-13-19(16-21)22-20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,2,13-16H2,1H3

InChIKey

AMFUILNWFICSTI-UHFFFAOYSA-N

Compound name

3-benzhydryloxy-1-propylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 295.1936 Da
Monoisotopic Mass: 4.4
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]+	296.200876	173.0
[M+Na]+	318.182818	176.7
[M-H]-	294.186324	180.1
[M+NH4]+	313.227423	187.9
[M+K]+	334.156758	172.1
[M+H-H2O]+	278.190860	163.4
[M+HCOO]-	340.191801	192.5
[M+CH3COO]-	354.207451	183.1
[M+Na-2H]-	316.168266	173.5
[M]+	295.19305142	171.0
[M]-	295.19414858	171.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe