CID 65600

Quifenadine

Structural Information

Molecular Formula

C₂₀H₂₃NO

SMILES

C1CN2CCC1C(C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

InChI

InChI=1S/C20H23NO/c22-20(17-7-3-1-4-8-17,18-9-5-2-6-10-18)19-15-21-13-11-16(19)12-14-21/h1-10,16,19,22H,11-15H2

InChIKey

PZMAHNDJABQWGS-UHFFFAOYSA-N

Compound name

1-azabicyclo[2.2.2]octan-3-yl(diphenyl)methanol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 36
References: 389
Patents: 293.17798 Da
Monoisotopic Mass: 3.4
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]+	294.18526	166.5
[M+Na]+	316.16720	179.7
[M+NH4]+	311.21180	177.7
[M+K]+	332.14114	170.6
[M-H]-	292.17070	169.1
[M+Na-2H]-	314.15265	170.2
[M]+	293.17743	169.3
[M]-	293.17853	169.3

Literature stripe

literature stripe

Patent stripe

patents stripe