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]+ 380.258406 197.3
[M+Na]+ 402.240348 200.9
[M-H]- 378.243854 204.1
[M+NH4]+ 397.284953 209.2
[M+K]+ 418.214288 195.8
[M+H-H2O]+ 362.248390 186.6
[M+HCOO]- 424.249331 213.1
[M+CH3COO]- 438.264981 220.7
[M+Na-2H]- 400.225796 196.5
[M]+ 379.25058142 196.4
[M]- 379.25167858 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.