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]+ 364.227096 192.0
[M+Na]+ 386.209038 196.3
[M-H]- 362.212544 200.0
[M+NH4]+ 381.253643 207.2
[M+K]+ 402.182978 190.8
[M+H-H2O]+ 346.217080 182.0
[M+HCOO]- 408.218021 207.2
[M+CH3COO]- 422.233671 200.7
[M+Na-2H]- 384.194486 190.6
[M]+ 363.21927142 188.8
[M]- 363.22036858 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.