CID 3060675

3-(2-(3-phenylpropyl)piperidino)propyl benzoate hydrochloride

Structural Information

Molecular Formula
C24H31NO2
SMILES
C1CCN(C(C1)CCCC2=CC=CC=C2)CCCOC(=O)C3=CC=CC=C3
InChI
InChI=1S/C24H31NO2/c26-24(22-14-5-2-6-15-22)27-20-10-19-25-18-8-7-16-23(25)17-9-13-21-11-3-1-4-12-21/h1-6,11-12,14-15,23H,7-10,13,16-20H2
InChIKey
IHJJAOPIGRYMCW-UHFFFAOYSA-N
Compound name
3-[2-(3-phenylpropyl)piperidin-1-yl]propyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.23547 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.24275 193.0
[M+Na]+ 388.22469 194.0
[M-H]- 364.22819 198.7
[M+NH4]+ 383.26929 202.6
[M+K]+ 404.19863 188.6
[M+H-H2O]+ 348.23273 181.5
[M+HCOO]- 410.23367 209.0
[M+CH3COO]- 424.24932 215.9
[M+Na-2H]- 386.21014 193.0
[M]+ 365.23492 190.5
[M]- 365.23602 190.5
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.