CID 202503

Benzhydrol, 4,4'-dimethoxy-alpha-(3-quinuclidinyl)-

Structural Information

Molecular Formula
C22H27NO3
SMILES
COC1=CC=C(C=C1)C(C2CN3CCC2CC3)(C4=CC=C(C=C4)OC)O
InChI
InChI=1S/C22H27NO3/c1-25-19-7-3-17(4-8-19)22(24,18-5-9-20(26-2)10-6-18)21-15-23-13-11-16(21)12-14-23/h3-10,16,21,24H,11-15H2,1-2H3
InChIKey
LEHRLQAAXNUADP-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl-bis(4-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

No literature data available for this compound.

Patent stripe

patents stripe