CID 6448144

(e)-1-cinnamyl-4-((4-hydroxy-4-phenylpiperidino)acetyl)piperazine hydrochloride

Structural Information

Molecular Formula
C26H33N3O2
SMILES
C1CN(CCC1(C2=CC=CC=C2)O)CC(=O)N3CCN(CC3)C/C=C/C4=CC=CC=C4
InChI
InChI=1S/C26H33N3O2/c30-25(22-28-16-13-26(31,14-17-28)24-11-5-2-6-12-24)29-20-18-27(19-21-29)15-7-10-23-8-3-1-4-9-23/h1-12,31H,13-22H2/b10-7+
InChIKey
CPUNJCGUHZPOAP-JXMROGBWSA-N
Compound name
2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.25726 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.26454 207.7
[M+Na]+ 442.24648 207.8
[M-H]- 418.24998 211.9
[M+NH4]+ 437.29108 212.9
[M+K]+ 458.22042 200.6
[M+H-H2O]+ 402.25452 193.6
[M+HCOO]- 464.25546 215.9
[M+CH3COO]- 478.27111 211.8
[M+Na-2H]- 440.23193 206.0
[M]+ 419.25671 197.9
[M]- 419.25781 197.9
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.