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]+ 354.206376 184.5
[M+Na]+ 376.188318 186.4
[M-H]- 352.191824 184.0
[M+NH4]+ 371.232923 199.1
[M+K]+ 392.162258 182.4
[M+H-H2O]+ 336.196360 175.6
[M+HCOO]- 398.197301 190.9
[M+CH3COO]- 412.212951 191.1
[M+Na-2H]- 374.173766 193.1
[M]+ 353.19855142 185.9
[M]- 353.19964858 185.9
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