CID 14553555

6-o-desmethyldonepezil

Structural Information

Molecular Formula
C23H27NO3
SMILES
COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=CC=CC=C4)O
InChI
InChI=1S/C23H27NO3/c1-27-22-13-18-12-19(23(26)20(18)14-21(22)25)11-16-7-9-24(10-8-16)15-17-5-3-2-4-6-17/h2-6,13-14,16,19,25H,7-12,15H2,1H3
InChIKey
DJRBBQJREIMIEU-UHFFFAOYSA-N
Compound name
2-[(1-benzylpiperidin-4-yl)methyl]-6-hydroxy-5-methoxy-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

21
Patents

365.1991 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.20638 189.9
[M+Na]+ 388.18832 195.0
[M-H]- 364.19182 197.0
[M+NH4]+ 383.23292 202.7
[M+K]+ 404.16226 188.9
[M+H-H2O]+ 348.19636 180.4
[M+HCOO]- 410.19730 205.0
[M+CH3COO]- 424.21295 198.6
[M+Na-2H]- 386.17377 187.7
[M]+ 365.19855 187.2
[M]- 365.19965 187.2
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