CID 6449129

128864-81-3

Structural Information

Molecular Formula
C24H29NO3
SMILES
CCC(=O)OC1(CCN(CC1)C/C=C/COC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C24H29NO3/c1-2-23(26)28-24(21-11-5-3-6-12-21)15-18-25(19-16-24)17-9-10-20-27-22-13-7-4-8-14-22/h3-14H,2,15-20H2,1H3/b10-9+
InChIKey
SFZAVPIKNUIKLT-MDZDMXLPSA-N
Compound name
[1-[(E)-4-phenoxybut-2-enyl]-4-phenylpiperidin-4-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

379.21475 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.222026 196.0
[M+Na]+ 402.203968 198.4
[M-H]- 378.207474 202.2
[M+NH4]+ 397.248573 207.1
[M+K]+ 418.177908 193.4
[M+H-H2O]+ 362.212010 184.8
[M+HCOO]- 424.212951 212.5
[M+CH3COO]- 438.228601 216.1
[M+Na-2H]- 400.189416 197.2
[M]+ 379.21420142 194.5
[M]- 379.21529858 194.5
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.