CID 198366

Alpha,alpha-bis(o-methoxyphenyl)-3-quinuclidinemethanol

Structural Information

Molecular Formula
C22H27NO3
SMILES
COC1=CC=CC=C1C(C2CN3CCC2CC3)(C4=CC=CC=C4OC)O
InChI
InChI=1S/C22H27NO3/c1-25-20-9-5-3-7-17(20)22(24,18-8-4-6-10-21(18)26-2)19-15-23-13-11-16(19)12-14-23/h3-10,16,19,24H,11-15H2,1-2H3
InChIKey
CQPSVOBFSZOIEG-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl-bis(2-methoxyphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

353.1991 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.20638 180.8
[M+Na]+ 376.18832 193.4
[M+NH4]+ 371.23292 190.6
[M+K]+ 392.16226 185.2
[M-H]- 352.19182 182.5
[M+Na-2H]- 374.17377 182.8
[M]+ 353.19855 183.2
[M]- 353.19965 183.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe