CID 6447567

78033-80-4

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]+ 360.253306 192.0
[M+Na]+ 382.235248 194.1
[M-H]- 358.238754 195.0
[M+NH4]+ 377.279853 204.7
[M+K]+ 398.209188 190.2
[M+H-H2O]+ 342.243290 182.6
[M+HCOO]- 404.244231 208.0
[M+CH3COO]- 418.259881 214.1
[M+Na-2H]- 380.220696 192.1
[M]+ 359.24548142 192.8
[M]- 359.24657858 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.