CID 3039573

4-piperidinol, 1-(2-indanyl)-4-phenyl-, propionate (ester), hydrochloride

Structural Information

Molecular Formula
C23H27NO2
SMILES
CCC(=O)OC1(CCN(CC1)C2CC3=CC=CC=C3C2)C4=CC=CC=C4
InChI
InChI=1S/C23H27NO2/c1-2-22(25)26-23(20-10-4-3-5-11-20)12-14-24(15-13-23)21-16-18-8-6-7-9-19(18)17-21/h3-11,21H,2,12-17H2,1H3
InChIKey
RFKOBMNRZJJQQJ-UHFFFAOYSA-N
Compound name
[1-(2,3-dihydro-1H-inden-2-yl)-4-phenylpiperidin-4-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.2042 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.21148 187.8
[M+Na]+ 372.19342 191.6
[M-H]- 348.19692 195.6
[M+NH4]+ 367.23802 203.2
[M+K]+ 388.16736 186.3
[M+H-H2O]+ 332.20146 177.7
[M+HCOO]- 394.20240 203.4
[M+CH3COO]- 408.21805 196.6
[M+Na-2H]- 370.17887 187.6
[M]+ 349.20365 183.8
[M]- 349.20475 183.8
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.