CID 14476557

Methyl 1-benzyl-3-phenylpyrrolidine-3-carboxylate

Structural Information

Molecular Formula

C₁₉H₂₁NO₂

SMILES

COC(=O)C1(CCN(C1)CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H21NO2/c1-22-18(21)19(17-10-6-3-7-11-17)12-13-20(15-19)14-16-8-4-2-5-9-16/h2-11H,12-15H2,1H3

InChIKey

WKQDMNDNLBVMJY-UHFFFAOYSA-N

Compound name

methyl 1-benzyl-3-phenylpyrrolidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 295.15723 Da
Monoisotopic Mass: 3.2
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]+	296.164506	171.4
[M+Na]+	318.146448	176.9
[M-H]-	294.149954	179.3
[M+NH4]+	313.191053	188.3
[M+K]+	334.120388	172.8
[M+H-H2O]+	278.154490	162.3
[M+HCOO]-	340.155431	191.8
[M+CH3COO]-	354.171081	200.1
[M+Na-2H]-	316.131896	173.5
[M]+	295.15668142	170.1
[M]-	295.15777858	170.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe