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]+ 350.211476 187.8
[M+Na]+ 372.193418 191.6
[M-H]- 348.196924 195.6
[M+NH4]+ 367.238023 203.2
[M+K]+ 388.167358 186.3
[M+H-H2O]+ 332.201460 177.7
[M+HCOO]- 394.202401 203.4
[M+CH3COO]- 408.218051 196.6
[M+Na-2H]- 370.178866 187.6
[M]+ 349.20365142 183.8
[M]- 349.20474858 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.