CID 198752

Zanapezil

Structural Information

Molecular Formula
C25H32N2O
SMILES
C1CCNC2=C(C1)C=CC(=C2)C(=O)CCC3CCN(CC3)CC4=CC=CC=C4
InChI
InChI=1S/C25H32N2O/c28-25(23-11-10-22-8-4-5-15-26-24(22)18-23)12-9-20-13-16-27(17-14-20)19-21-6-2-1-3-7-21/h1-3,6-7,10-11,18,20,26H,4-5,8-9,12-17,19H2
InChIKey
PMBLXLOXUGVTGB-UHFFFAOYSA-N
Compound name
3-(1-benzylpiperidin-4-yl)-1-(2,3,4,5-tetrahydro-1H-1-benzazepin-8-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

33
References

1956
Patents

376.25146 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.25874 195.0
[M+Na]+ 399.24068 195.0
[M-H]- 375.24418 199.7
[M+NH4]+ 394.28528 202.6
[M+K]+ 415.21462 191.8
[M+H-H2O]+ 359.24872 184.2
[M+HCOO]- 421.24966 204.5
[M+CH3COO]- 435.26531 200.2
[M+Na-2H]- 397.22613 194.1
[M]+ 376.25091 184.0
[M]- 376.25201 184.0
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