CID 129642474

Donepezil al

Structural Information

Molecular Formula
C25H29NO4
SMILES
COC1=C(C=C2C(=C1)CC(C2=O)(CC3CCN(CC3)CC4=CC=CC=C4)C=O)OC
InChI
InChI=1S/C25H29NO4/c1-29-22-12-20-15-25(17-27,24(28)21(20)13-23(22)30-2)14-18-8-10-26(11-9-18)16-19-6-4-3-5-7-19/h3-7,12-13,17-18H,8-11,14-16H2,1-2H3
InChIKey
JWRGLSVFCXWTIM-UHFFFAOYSA-N
Compound name
2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-3-oxo-1H-indene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.20966 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.216936 200.4
[M+Na]+ 430.198878 206.2
[M-H]- 406.202384 208.8
[M+NH4]+ 425.243483 214.0
[M+K]+ 446.172818 200.9
[M+H-H2O]+ 390.206920 190.3
[M+HCOO]- 452.207861 216.7
[M+CH3COO]- 466.223511 224.4
[M+Na-2H]- 428.184326 198.9
[M]+ 407.20911142 201.2
[M]- 407.21020858 201.2
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

No patent data available for this compound.