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 184.5
[M+Na]+ 376.18832 186.4
[M-H]- 352.19182 184.0
[M+NH4]+ 371.23292 199.1
[M+K]+ 392.16226 182.4
[M+H-H2O]+ 336.19636 175.6
[M+HCOO]- 398.19730 190.9
[M+CH3COO]- 412.21295 191.1
[M+Na-2H]- 374.17377 193.1
[M]+ 353.19855 185.9
[M]- 353.19965 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