CID 3048932

64140-64-3

Structural Information

Molecular Formula
C25H33NO2
SMILES
CCC(=O)OC1(CC(N(CC1C)CCCC2=CC=CC=C2)C)C3=CC=CC=C3
InChI
InChI=1S/C25H33NO2/c1-4-24(27)28-25(23-15-9-6-10-16-23)18-21(3)26(19-20(25)2)17-11-14-22-12-7-5-8-13-22/h5-10,12-13,15-16,20-21H,4,11,14,17-19H2,1-3H3
InChIKey
VYXABJUZHRCGGH-UHFFFAOYSA-N
Compound name
[2,5-dimethyl-4-phenyl-1-(3-phenylpropyl)piperidin-4-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.25113 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.25841 197.3
[M+Na]+ 402.24035 200.9
[M-H]- 378.24385 204.1
[M+NH4]+ 397.28495 209.2
[M+K]+ 418.21429 195.8
[M+H-H2O]+ 362.24839 186.6
[M+HCOO]- 424.24933 213.1
[M+CH3COO]- 438.26498 220.7
[M+Na-2H]- 400.22580 196.5
[M]+ 379.25058 196.4
[M]- 379.25168 196.4
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.