CID 206920

5-dibutylaminomethyl-4-phenyl-1,2,5-trimethyl-4-piperidinol, propionate, dihydrochloride

Structural Information

Molecular Formula
C26H44N2O2
SMILES
CCCCN(CCCC)CC1(CN(C(CC1(C2=CC=CC=C2)OC(=O)CC)C)C)C
InChI
InChI=1S/C26H44N2O2/c1-7-10-17-28(18-11-8-2)21-25(5)20-27(6)22(4)19-26(25,30-24(29)9-3)23-15-13-12-14-16-23/h12-16,22H,7-11,17-21H2,1-6H3
InChIKey
JGEWKWHQAMZQFJ-UHFFFAOYSA-N
Compound name
[5-[(dibutylamino)methyl]-1,2,5-trimethyl-4-phenylpiperidin-4-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.34027 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.34755 207.8
[M+Na]+ 439.32949 217.3
[M+NH4]+ 434.37409 216.5
[M+K]+ 455.30343 205.7
[M-H]- 415.33299 211.2
[M+Na-2H]- 437.31494 214.5
[M]+ 416.33972 210.3
[M]- 416.34082 210.3
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.