CID 6447567

1-(4-butoxy-2-butenyl)-4-phenyl-4-piperidinol propionate hydrochloride

Structural Information

Molecular Formula
C22H33NO3
SMILES
CCCCOC/C=C/CN1CCC(CC1)(C2=CC=CC=C2)OC(=O)CC
InChI
InChI=1S/C22H33NO3/c1-3-5-18-25-19-10-9-15-23-16-13-22(14-17-23,26-21(24)4-2)20-11-7-6-8-12-20/h6-12H,3-5,13-19H2,1-2H3/b10-9+
InChIKey
BQGDZBAEWXCAPW-MDZDMXLPSA-N
Compound name
[1-[(E)-4-butoxybut-2-enyl]-4-phenylpiperidin-4-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.24603 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.25331 192.0
[M+Na]+ 382.23525 194.1
[M-H]- 358.23875 195.0
[M+NH4]+ 377.27985 204.7
[M+K]+ 398.20919 190.2
[M+H-H2O]+ 342.24329 182.6
[M+HCOO]- 404.24423 208.0
[M+CH3COO]- 418.25988 214.1
[M+Na-2H]- 380.22070 192.1
[M]+ 359.24548 192.8
[M]- 359.24658 192.8
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.