CID 3152

Donepezil

Structural Information

Molecular Formula
C24H29NO3
SMILES
COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=CC=CC=C4)OC
InChI
InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
InChIKey
ADEBPBSSDYVVLD-UHFFFAOYSA-N
Compound name
2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

4408
References

66276
Patents

379.21475 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.22203 194.5
[M+Na]+ 402.20397 199.5
[M-H]- 378.20747 202.7
[M+NH4]+ 397.24857 207.4
[M+K]+ 418.17791 194.0
[M+H-H2O]+ 362.21201 184.4
[M+HCOO]- 424.21295 210.7
[M+CH3COO]- 438.22860 220.5
[M+Na-2H]- 400.18942 192.0
[M]+ 379.21420 193.9
[M]- 379.21530 193.9
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