CID 13332799

1-(5'-phenylpentadiyn-2',4'-yl)-4-phenyl-4-propionyloxypiperidine hydrochloride

Structural Information

Molecular Formula
C25H25NO2
SMILES
CCC(=O)OC1(CCN(CC1)CC#CC#CC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C25H25NO2/c1-2-24(27)28-25(23-15-9-4-10-16-23)17-20-26(21-18-25)19-11-5-8-14-22-12-6-3-7-13-22/h3-4,6-7,9-10,12-13,15-16H,2,17-21H2,1H3
InChIKey
IHWVJRITOUJFMM-UHFFFAOYSA-N
Compound name
[4-phenyl-1-(5-phenylpenta-2,4-diynyl)piperidin-4-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.18854 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.19582 203.9
[M+Na]+ 394.17776 213.5
[M+NH4]+ 389.22236 204.7
[M+K]+ 410.15170 199.6
[M-H]- 370.18126 195.0
[M+Na-2H]- 392.16321 204.3
[M]+ 371.18799 201.7
[M]- 371.18909 201.7
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.