CID 3039577

50823-18-2

Structural Information

Molecular Formula
C24H29NO2
SMILES
CCC(=O)OC1(CCN(CC1)C2CC3=CC=CC=C3C2C)C4=CC=CC=C4
InChI
InChI=1S/C24H29NO2/c1-3-23(26)27-24(20-10-5-4-6-11-20)13-15-25(16-14-24)22-17-19-9-7-8-12-21(19)18(22)2/h4-12,18,22H,3,13-17H2,1-2H3
InChIKey
AWPUSLFUYVPPQP-UHFFFAOYSA-N
Compound name
[1-(1-methyl-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

363.21982 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.22710 192.0
[M+Na]+ 386.20904 196.3
[M-H]- 362.21254 200.0
[M+NH4]+ 381.25364 207.2
[M+K]+ 402.18298 190.8
[M+H-H2O]+ 346.21708 182.0
[M+HCOO]- 408.21802 207.2
[M+CH3COO]- 422.23367 200.7
[M+Na-2H]- 384.19449 190.6
[M]+ 363.21927 188.8
[M]- 363.22037 188.8
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.