CID 189889

Butaverine

Structural Information

Molecular Formula
C18H27NO2
SMILES
CCCCOC(=O)CC(C1=CC=CC=C1)N2CCCCC2
InChI
InChI=1S/C18H27NO2/c1-2-3-14-21-18(20)15-17(16-10-6-4-7-11-16)19-12-8-5-9-13-19/h4,6-7,10-11,17H,2-3,5,8-9,12-15H2,1H3
InChIKey
WQDZHQZKJMNOAY-UHFFFAOYSA-N
Compound name
butyl 3-phenyl-3-piperidin-1-ylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

675
Patents

289.2042 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.21148 173.0
[M+Na]+ 312.19342 174.3
[M-H]- 288.19692 176.0
[M+NH4]+ 307.23802 186.1
[M+K]+ 328.16736 171.4
[M+H-H2O]+ 272.20146 163.7
[M+HCOO]- 334.20240 188.9
[M+CH3COO]- 348.21805 201.9
[M+Na-2H]- 310.17887 173.4
[M]+ 289.20365 170.4
[M]- 289.20475 170.4
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.