CID 3025362

102584-45-2

Structural Information

Molecular Formula

C₁₉H₂₃NO

SMILES

CCN1CCC(C1)OC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H23NO/c1-2-20-14-13-18(15-20)21-19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18-19H,2,13-15H2,1H3

InChIKey

QJEGCMDUXKGGPK-UHFFFAOYSA-N

Compound name

3-benzhydryloxy-1-ethylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 281.17798 Da
Monoisotopic Mass: 3.9
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]+	282.18526	168.5
[M+Na]+	304.16720	172.6
[M-H]-	280.17070	175.8
[M+NH4]+	299.21180	183.9
[M+K]+	320.14114	168.3
[M+H-H2O]+	264.17524	159.0
[M+HCOO]-	326.17618	188.3
[M+CH3COO]-	340.19183	179.0
[M+Na-2H]-	302.15265	169.5
[M]+	281.17743	166.2
[M]-	281.17853	166.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe