CID 36473

33422-64-9

Structural Information

Molecular Formula
C22H25NO3
SMILES
CC(C)N1CCCC(C1)(C(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C22H25NO3/c1-17(2)23-15-9-14-22(16-23,20(24)18-10-5-3-6-11-18)26-21(25)19-12-7-4-8-13-19/h3-8,10-13,17H,9,14-16H2,1-2H3
InChIKey
AQKAACHSNOYKJJ-UHFFFAOYSA-N
Compound name
(3-benzoyl-1-propan-2-ylpiperidin-3-yl) benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.18344 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.19072 186.2
[M+Na]+ 374.17266 188.8
[M-H]- 350.17616 193.0
[M+NH4]+ 369.21726 198.2
[M+K]+ 390.14660 185.5
[M+H-H2O]+ 334.18070 176.0
[M+HCOO]- 396.18164 201.4
[M+CH3COO]- 410.19729 212.6
[M+Na-2H]- 372.15811 186.3
[M]+ 351.18289 183.0
[M]- 351.18399 183.0
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

No patent data available for this compound.